data_2kkp_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 2kkp _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 ' 8' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 45.7 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.809 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 86.1 t -59.21 -47.12 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.245 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -26.39 65.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.628 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.57 -42.18 95.8 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 121.074 0.464 . . . . 0.0 109.914 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.453 ' HH2' ' HB2' ' A' ' 88' ' ' GLN . 63.3 t90 -72.76 -42.81 63.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.059 177.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 9' ' ' VAL . 79.0 mt -56.77 -52.82 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -63.88 -33.37 75.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.747 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.34 -41.78 47.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.973 0.416 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 t90 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.127 177.724 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.89 -32.16 73.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.886 0.374 . . . . 0.0 110.479 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 18.5 tt0 -77.07 -50.86 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.185 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.2 m -53.98 -55.88 23.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.136 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.28 -37.36 77.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.907 0.384 . . . . 0.0 111.021 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.57 ' O ' HG13 ' A' ' 41' ' ' VAL . 28.4 tp -65.2 -65.35 0.68 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.436 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 46.5 ptt85 -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.419 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.96 -37.59 82.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.321 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -97.13 -49.05 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 37' ' ' LEU . 7.8 p -86.56 -28.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -169.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.528 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 26.2 mt -64.77 -53.07 46.31 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.954 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 10.9 Cg_exo -71.58 -3.9 13.97 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.916 1.744 . . . . 0.0 112.93 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.1 p -108.07 -67.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.989 0.423 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD13 HD23 ' A' ' 53' ' ' LEU . 60.8 mt -110.6 -7.79 14.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -174.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.809 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.06 -29.57 74.79 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 113.177 -175.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -86.24 15.68 5.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.186 0.517 . . . . 0.0 111.239 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.631 ' O ' HG21 ' A' ' 9' ' ' VAL . 66.5 mt -115.89 139.1 24.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.592 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 25.3 Cg_endo -64.35 144.2 85.15 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.007 1.805 . . . . 0.0 111.971 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.494 ' HB3' HD13 ' A' ' 95' ' ' LEU . 52.1 mt -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.1 -4.25 49.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.788 0.328 . . . . 0.0 111.782 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.592 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 61.3 tttp -116.42 -12.57 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.455 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD12 HG13 ' A' ' 58' ' ' ILE . 3.2 tm? -68.12 119.12 12.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.98 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.62 146.9 38.26 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.931 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.43 -26.95 80.06 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.703 2.269 . . . . 0.0 111.67 174.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.28 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.734 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.38 -39.29 85.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.499 HG13 HD12 ' A' ' 53' ' ' LEU . 69.4 mt -65.46 -43.27 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -62.23 -44.54 96.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -61.7 -36.77 81.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.998 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.38 -48.35 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.44 ' CE1' ' HA ' ' A' ' 79' ' ' HIS . 23.4 m-85 -61.41 -44.91 96.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.227 0.537 . . . . 0.0 110.949 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 67' ' ' GLU . . . -71.28 -49.68 40.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.017 -175.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -67.32 -34.82 78.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.416 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.898 ' HB3' HD13 ' A' ' 70' ' ' LEU . 29.9 mmtm -77.65 -23.1 49.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.281 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.78 -42.99 90.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 63' ' ' ALA . 7.0 mm-40 -63.96 -25.46 68.15 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.489 175.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -78.71 -8.27 58.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.423 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.06 22.83 7.69 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.63 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.898 HD13 ' HB3' ' A' ' 65' ' ' LYS . 42.2 mt -85.85 142.6 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.032 0.416 . . . . 0.0 110.182 175.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.4 m -71.99 138.4 82.21 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.112 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -37.95 82.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.253 2.635 . . . . 0.0 112.841 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.1 m -69.21 -37.85 78.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.208 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.484 ' O ' HG13 ' A' ' 78' ' ' ILE . 12.0 ttp85 -76.81 -33.61 57.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.45 -37.04 78.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.502 0.668 . . . . 0.0 109.241 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -61.45 -37.75 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.497 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -67.62 -44.57 77.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.646 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 74' ' ' ARG . 80.4 mt -57.81 -36.86 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 110.379 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 62' ' ' TYR . 2.5 t60 -54.04 -51.45 63.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.868 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.0 m -79.63 -36.66 17.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' ' 78' ' ' ILE . 14.0 p -66.18 -37.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.191 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.16 -42.05 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.959 0.409 . . . . 0.0 109.928 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.459 ' HD2' ' OG1' ' A' ' 100' ' ' THR . 37.7 t-80 -57.71 -59.66 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.313 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.43 -18.12 58.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -171.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.82 56.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.615 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 49.4 ttm -69.06 -28.57 66.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.704 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 49.3 m -63.29 -22.36 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.127 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.453 ' HB2' ' HH2' ' A' ' 12' ' ' TRP . 14.8 mm100 -70.57 -28.48 64.92 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.739 ' HB3' HD12 ' A' ' 94' ' ' LEU . . . -75.84 -34.23 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.507 0.67 . . . . 0.0 109.736 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.191 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.55 -3.82 45.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.146 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -91.5 -7.29 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.053 0.454 . . . . 0.0 109.828 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.79 7.88 88.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.104 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.739 HD12 ' HB3' ' A' ' 89' ' ' ALA . 4.5 pp -100.22 -10.68 21.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 110.242 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' ' 50' ' ' LEU . 47.6 tp -123.48 129.15 50.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.193 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.757 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.2 pt? -79.23 -36.58 39.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -150.46 147.62 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -78.85 114.35 43.22 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.615 ' HD2' ' SD ' ' A' ' 86' ' ' MET . 24.3 Cg_exo -63.94 -16.52 55.34 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.796 2.33 . . . . 0.0 111.847 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.459 ' OG1' ' HD2' ' A' ' 83' ' ' HIS . 34.4 p -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.5 -19.32 49.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.894 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.2 -0.13 30.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.723 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.5 174.58 8.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.456 ' HZ3' ' HB3' ' A' ' 104' ' ' LYS . 8.1 mtpm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.888 0.375 . . . . 0.0 110.221 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 48' ' ' ILE . 59.8 t -50.01 -48.87 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.876 0.369 . . . . 0.0 111.602 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -59.0 -42.9 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.477 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -77.05 -36.45 55.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -63.71 -51.16 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.01 -49.89 70.4 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.932 0.396 . . . . 0.0 110.497 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -56.59 -49.04 76.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.603 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -70.16 -49.79 46.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.772 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.11 -174.655 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' HG22 ' A' ' 36' ' ' VAL . 37.1 p . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.49 0.185 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.474 ' HA ' HG21 ' A' ' 81' ' ' VAL . 21.5 m-85 -48.33 -53.38 17.63 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 124.05 0.844 . . . . 0.0 110.393 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 24.7 tt0 -67.31 -49.62 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.958 -176.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.1 m -52.46 -55.39 22.23 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.041 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 32' ' ' SER . 26.9 m -64.73 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.595 ' O ' HG11 ' A' ' 41' ' ' VAL . 76.8 mt -69.33 -64.27 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.546 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 45.6 ptt85 -56.98 -40.79 77.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.8 -175.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.75 -50.11 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.932 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -101.37 -39.81 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -171.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.595 HG11 ' O ' ' A' ' 37' ' ' LEU . 4.0 p -93.68 -22.32 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.056 -171.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -71.67 -44.46 12.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 52.2 Cg_exo -55.88 -34.08 90.55 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.884 1.723 . . . . 0.0 113.658 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.415 HG23 HD13 ' A' ' 45' ' ' LEU . 5.2 t -108.05 -43.23 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.618 ' HG ' HD13 ' A' ' 48' ' ' ILE . 10.6 mp -106.17 -6.24 18.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.469 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.5 -21.54 77.61 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.113 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 p -88.79 5.7 42.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.618 HD13 ' HG ' ' A' ' 45' ' ' LEU . 64.1 mt -96.28 131.62 28.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.405 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 52' ' ' LYS . 30.9 Cg_endo -66.18 139.58 55.93 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.456 2.104 . . . . 0.0 111.294 174.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.2 -33.25 57.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.01 2.61 45.69 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 4.0 ttpt -107.93 -17.77 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.734 HD13 HD13 ' A' ' 58' ' ' ILE . 3.0 tm? -51.5 111.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.319 -172.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 97.3 mt-30 -107.62 153.93 41.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.266 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.18 -27.89 85.81 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.476 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.6 93.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.388 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -63.09 -41.52 99.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.841 0.353 . . . . 0.0 110.246 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.734 HD13 HD13 ' A' ' 53' ' ' LEU . 19.3 mt -65.29 -48.26 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.82 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.38 -44.4 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.802 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -63.57 -37.26 86.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.03 -51.03 67.57 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.522 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.55 ' CE2' HG23 ' A' ' 58' ' ' ILE . 25.1 m-85 -62.78 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.339 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -56.26 23.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.66 0.6 . . . . 0.0 111.451 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m -69.98 -26.25 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.078 0.466 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.682 ' HZ1' HG13 ' A' ' 75' ' ' VAL . 23.2 ttpp -74.81 -24.13 58.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.183 0.516 . . . . 0.0 110.168 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.54 -39.46 64.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.27 -15.23 63.04 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.969 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.8 t -74.1 -17.64 60.92 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.21 35.81 3.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.838 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.591 HD13 ' HG2' ' A' ' 65' ' ' LYS . 14.0 mt -99.87 138.0 37.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.743 0.271 . . . . 0.0 111.04 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 75' ' ' VAL . 46.9 t -63.79 136.92 96.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.2 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.03 -25.47 44.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.408 2.739 . . . . 0.0 112.626 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -62.58 -48.45 79.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -74.74 -27.35 60.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.852 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.682 HG13 ' HZ1' ' A' ' 65' ' ' LYS . 97.1 t -63.46 -41.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.978 175.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -67.11 -38.26 85.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.362 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.89 -47.47 80.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.836 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.552 ' HA ' HG13 ' A' ' 81' ' ' VAL . 80.7 mt -59.7 -34.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.541 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 27.5 t-80 -65.07 -40.33 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.065 0.46 . . . . 0.0 110.363 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.95 -46.61 51.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.552 HG13 ' HA ' ' A' ' 78' ' ' ILE . 11.6 p -66.65 -39.95 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.097 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.37 -40.58 97.63 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 87' ' ' SER . 33.6 t60 -55.95 -52.07 65.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.584 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.45 -46.47 82.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.31 81.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.409 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.8 ttm -71.42 -26.7 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 83' ' ' HIS . 23.0 t -57.84 -30.62 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 177.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -64.2 -39.7 94.54 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.5 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 25.8 ttp-105 -65.5 -49.38 69.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.054 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -79.22 7.98 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.437 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -111.68 2.82 17.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.44 174.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.13 13.33 82.16 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.288 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.21 -27.96 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 34.0 tp -131.73 122.13 25.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.054 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.707 HD23 ' H ' ' A' ' 96' ' ' LEU . 1.4 pt? -80.41 -10.69 59.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.976 -174.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -132.47 170.74 14.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -173.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -120.22 95.21 49.05 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HG2' HD12 ' A' ' 53' ' ' LEU . 2.0 Cg_endo -83.74 -12.25 8.75 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.248 2.632 . . . . 0.0 112.975 -174.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -37.76 88.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.331 -176.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -33.13 61.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.92 -23.62 64.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.212 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.41 93.65 9.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.842 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.844 -178.53 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 31.2 p . . . . . 0 C--O 1.237 0.447 0 CA-C-O 120.747 0.308 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.572 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 98.0 t -61.52 -48.03 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.451 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.3 -36.04 76.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -67.6 -45.37 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.594 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -71.36 -47.08 58.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.96 -52.18 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.15 -43.57 98.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.898 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.1 ttm-85 -64.51 -43.39 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.613 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.013 178.766 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.941 0.4 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.04 -47.51 79.92 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.14 -42.63 81.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.3 m -72.24 -47.41 50.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.388 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HD2' ' A' ' 40' ' ' HIS . 27.8 m -65.95 -39.63 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.269 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.587 ' O ' HG11 ' A' ' 41' ' ' VAL . 93.4 mt -60.55 -54.75 41.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -47.9 -55.29 10.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.136 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 tp -61.54 -36.22 79.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.384 -170.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.576 ' HD1' HD11 ' A' ' 61' ' ' LEU . 4.9 p80 -98.3 -40.43 8.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -169.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.587 HG11 ' O ' ' A' ' 37' ' ' LEU . 8.0 p -102.4 -30.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.97 -55.49 40.68 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.988 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.71 -11.14 29.14 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.888 1.726 . . . . 0.0 113.093 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -101.69 -66.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 111.764 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -112.23 4.91 18.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -171.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.572 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -61.91 -37.45 94.38 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.142 -176.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -79.77 -0.41 34.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.176 0.512 . . . . 0.0 110.648 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.431 ' O ' HG21 ' A' ' 9' ' ' VAL . 50.8 mt -92.61 134.67 27.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.694 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.651 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.8 Cg_exo -63.3 143.75 89.87 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.711 2.274 . . . . 0.0 112.095 176.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.22 -28.12 62.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.892 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 32.8 mmtp -76.47 -16.75 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -103.97 -3.93 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.556 . . . . 0.0 110.145 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.612 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -74.23 102.1 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.656 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -101.67 161.08 24.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.471 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.694 ' HG3' ' HA ' ' A' ' 99' ' ' PRO . 32.7 Cg_exo -60.89 -30.01 89.21 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.411 2.074 . . . . 0.0 111.376 173.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.41 87.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.15 -40.43 90.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 110.107 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.612 HD11 HD11 ' A' ' 53' ' ' LEU . 62.1 mt -66.59 -42.68 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.916 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.15 -37.84 88.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.975 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 60' ' ' ARG . 32.0 ttt180 -63.44 -42.13 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.272 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD11 ' HD1' ' A' ' 40' ' ' HIS . 5.6 tt -48.05 -59.31 3.47 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.881 0.738 . . . . 0.0 109.904 176.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.485 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 15.2 m-85 -57.72 -54.43 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.44 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.471 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.2 m -65.45 -49.86 67.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.567 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HG2' ' HG ' ' A' ' 70' ' ' LEU . 77.6 tttt -79.06 -22.76 44.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.035 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.754 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 52.5 tp -59.22 -45.66 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.94 -23.57 67.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.164 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.7 t -76.61 -47.61 21.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.981 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.46 53.98 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.267 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.754 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 36.4 mt -99.02 133.51 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.595 -0.356 . . . . 0.0 110.338 174.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 m -68.05 143.33 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.01 -35.67 72.78 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.713 2.275 . . . . 0.0 112.256 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.4 p -66.69 -41.72 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.984 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -63.41 -37.73 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.634 HG22 HD13 ' A' ' 66' ' ' LEU . 59.3 t -59.7 -41.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 123.369 0.418 . . . . 0.0 110.275 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -72.94 -38.3 66.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.441 ' HA ' HG11 ' A' ' 80' ' ' VAL . 41.6 t80 -64.91 -50.76 65.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.3 mt -57.93 -34.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.622 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.485 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 36.2 t-80 -70.01 -49.07 55.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.267 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.441 HG11 ' HA ' ' A' ' 77' ' ' TYR . 11.3 p -69.86 -37.61 73.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.387 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.05 -33.59 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.303 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.481 HD21 ' HE1' ' A' ' 40' ' ' HIS . 35.4 tp -72.21 -39.23 68.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -64.4 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.69 -50.85 9.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.028 0.442 . . . . 0.0 111.004 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.64 15.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -171.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.6 tpt -75.5 -29.3 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.596 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -67.79 -17.1 64.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 110.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.82 -20.91 64.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.58 75.68 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -66.91 -43.86 82.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.895 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.35 -18.22 60.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -73.76 -12.12 60.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.575 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.11 -5.28 57.65 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.655 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.405 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 3.6 mm? -75.76 -48.3 22.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.21 149.49 35.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.575 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.1 pt? -100.94 -30.52 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.56 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 77.8 mt-30 -103.01 167.9 9.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.321 . . . . 0.0 110.938 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -115.57 94.72 41.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.907 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.694 ' HA ' ' HG3' ' A' ' 55' ' ' PRO . 7.1 Cg_exo -74.31 -22.71 16.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.913 2.409 . . . . 0.0 112.572 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.9 p -69.85 -35.18 74.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.276 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.53 -35.44 60.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.27 8.26 31.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.884 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.54 90.41 8.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 109.468 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.332 -176.759 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 32.8 p . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.761 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 48.8 t -56.31 -45.74 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.179 0.299 . . . . 0.0 111.405 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HB3' HG13 ' A' ' 42' ' ' ILE . 13.5 pt-20 -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -65.81 -52.24 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.446 -174.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.613 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 69.0 p-90 -77.37 -35.43 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.059 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.05 -39.2 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.471 0.177 . . . . 0.0 111.413 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -59.07 -46.74 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 0.0 110.481 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -80.87 -28.07 36.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.518 ' HZ2' ' HG2' ' A' ' 88' ' ' GLN . 89.6 t90 . . . . . 0 CA--C 1.518 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 36' ' ' VAL . 9.7 m . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -44.28 -60.86 1.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.335 1.022 . . . . 0.0 113.115 -169.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -37.36 69.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.606 0.241 . . . . 0.0 111.553 -173.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 m -66.6 -47.39 72.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.712 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 32' ' ' SER . 27.0 m -65.7 -39.71 85.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.44 -56.34 10.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.2 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 20.7 tpt180 -47.5 -65.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.131 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.7 tp -52.93 -42.85 65.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.915 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -99.58 -56.33 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.9 m -96.37 -14.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -168.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.3 mp -68.83 -48.07 30.71 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 118.624 0.647 . . . . 0.0 112.301 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 8.1 Cg_exo -73.41 -9.59 23.14 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.861 1.707 . . . . 0.0 112.54 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.9 p -107.35 -67.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.845 0.355 . . . . 0.0 111.735 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -97.62 -29.24 13.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.761 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -66.69 -21.27 70.89 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.797 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -84.46 -3.89 58.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.056 0.455 . . . . 0.0 110.465 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -103.95 133.44 20.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.107 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.82 145.45 96.48 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.321 2.014 . . . . 0.0 111.509 173.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.498 HD23 HD21 ' A' ' 95' ' ' LEU . 94.6 mt -64.45 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.518 . . . . 0.0 111.338 -175.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -75.39 -1.57 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.276 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -124.36 -14.69 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -64.38 122.6 17.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -106.2 154.55 39.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.444 ' HA ' HD13 ' A' ' 58' ' ' ILE . 33.6 Cg_endo -65.44 -27.8 54.46 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.389 2.059 . . . . 0.0 111.222 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.98 99.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.77 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.336 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.457 HD11 HD12 ' A' ' 53' ' ' LEU . 79.3 mt -59.28 -56.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.791 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -65.26 -34.12 77.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.276 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -62.98 -42.85 99.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.715 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -49.89 70.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.58 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 24.3 m-85 -62.67 -47.07 85.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.968 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.0 89.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.891 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -65.67 -40.81 92.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.43 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.7 tptt -85.01 -18.95 32.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.984 0.421 . . . . 0.0 110.489 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.746 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 40.3 tp -66.6 -32.13 73.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.715 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.1 -40.94 91.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.133 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.84 -50.66 27.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.76 40.13 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 119.59 -1.29 . . . . 0.0 113.639 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.746 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 40.2 mt -100.37 164.84 11.75 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.474 -0.427 . . . . 0.0 109.992 172.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -108.2 151.57 41.47 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.3 -23.93 48.61 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.025 2.483 . . . . 0.0 112.965 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.4 p -81.2 -39.34 25.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.634 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.44 -35.94 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.844 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.59 -22.04 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.02 0.438 . . . . 0.0 110.205 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.619 ' O ' HG22 ' A' ' 80' ' ' VAL . 55.5 ttt85 -69.37 -44.23 71.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.32 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -57.71 -48.61 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.673 0.273 . . . . 0.0 110.498 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.06 -36.12 60.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.33 0.586 . . . . 0.0 110.121 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.58 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 1.9 t-80 -66.85 -39.34 87.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.535 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 76' ' ' ARG . 60.0 t -72.97 -48.46 44.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.02 -177.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -38.2 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.581 HD13 ' HE2' ' A' ' 86' ' ' MET . 33.2 tp -71.16 -32.72 69.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.257 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.61 ' HA ' ' HB ' ' A' ' 100' ' ' THR . 52.4 t60 -55.68 -50.64 69.74 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -71.06 -40.31 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.42 -52.62 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.584 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.581 ' HE2' HD13 ' A' ' 82' ' ' LEU . 54.9 mtt -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.302 . . . . 0.0 111.35 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -66.31 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.879 0.371 . . . . 0.0 110.384 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.518 ' HG2' ' HZ2' ' A' ' 16' ' ' TRP . 27.2 tp60 -75.02 -29.29 60.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.068 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.238 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.89 -44.16 86.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.436 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.74 -42.08 96.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.753 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.0 t -67.0 -22.66 65.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.768 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.75 6.45 52.47 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.03 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.18 -36.04 71.81 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 50' ' ' LEU . 3.9 mm? -113.91 115.06 27.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.404 172.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.589 HD21 ' H ' ' A' ' 96' ' ' LEU . 2.5 pt? -70.37 -24.52 62.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.151 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.468 ' O ' ' HB3' ' A' ' 95' ' ' LEU . 11.0 pt20 -127.49 -179.27 4.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.417 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -114.52 95.36 39.81 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.628 0.728 . . . . 0.0 110.982 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.19 -30.81 6.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.755 2.303 . . . . 0.0 112.879 -175.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.61 ' HB ' ' HA ' ' A' ' 83' ' ' HIS . 12.9 p -73.39 -19.55 60.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.147 0.499 . . . . 0.0 111.175 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -95.45 -24.21 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.559 0.695 . . . . 0.0 109.24 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.87 -12.67 61.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.5 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.9 176.33 7.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt . . . . . 0 N--CA 1.467 0.419 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.242 -171.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.407 ' OG1' ' HG2' ' A' ' 10' ' ' GLU . 14.7 p . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.539 0.209 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.456 HG12 HD21 ' A' ' 13' ' ' LEU . 57.3 t -61.55 -32.86 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.26 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HG2' ' OG1' ' A' ' 8' ' ' THR . 13.1 pt-20 -61.07 -22.43 64.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.77 -53.69 54.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.431 ' HE1' HG11 ' A' ' 9' ' ' VAL . 19.7 p-90 -76.29 -24.89 54.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.726 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD21 HG12 ' A' ' 9' ' ' VAL . 1.7 mm? -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.782 0.325 . . . . 0.0 110.195 172.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.71 -48.02 83.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.709 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -63.95 -48.48 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.65 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.7 t90 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.096 -178.257 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.4 ' O ' HG21 ' A' ' 36' ' ' VAL . 16.6 m . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -64.66 -30.85 71.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.294 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -42.24 20.4 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.92 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.7 m -58.52 -57.4 13.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.504 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.44 HG22 ' CE2' ' A' ' 77' ' ' TYR . 30.9 m -63.54 -31.03 51.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.722 0.296 . . . . 0.0 111.136 -176.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.592 ' O ' HG11 ' A' ' 41' ' ' VAL . 29.6 tp -64.31 -64.14 0.96 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.39 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.629 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 24.1 ptt85 -72.42 -36.25 68.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.84 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.7 -38.02 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.586 0.231 . . . . 0.0 111.431 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -88.49 -55.22 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.592 HG11 ' O ' ' A' ' 37' ' ' LEU . 9.9 p -93.79 -27.06 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -168.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.629 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.4 mp -66.55 -43.92 53.43 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 19.5 Cg_endo -60.51 -25.78 81.37 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.782 1.654 . . . . 0.0 113.137 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 t -108.18 -58.35 2.0 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.53 ' HB2' HG23 ' A' ' 41' ' ' VAL . 11.1 mp -88.43 -6.63 57.54 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 111.335 -176.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.45 -16.03 71.12 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.214 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -95.97 9.06 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 110.389 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.426 HD13 ' HG ' ' A' ' 45' ' ' LEU . 67.1 mt -111.7 121.26 40.35 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.856 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.85 134.58 65.41 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.545 2.163 . . . . 0.0 111.887 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.3 mt -55.01 -29.53 57.54 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -176.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 94' ' ' LEU . 12.4 mmmm -76.08 -16.13 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -109.53 -1.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.235 0.54 . . . . 0.0 109.806 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 45' ' ' LEU . 3.3 tm? -69.77 116.75 10.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.521 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -106.73 152.52 40.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.18 -34.39 87.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.755 2.303 . . . . 0.0 112.12 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.63 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.174 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -70.63 -38.29 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.482 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 99' ' ' PRO . 64.1 mt -64.76 -42.69 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 0.0 110.052 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.87 -41.45 99.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.0 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 60' ' ' ARG . 23.0 ttt180 -63.12 -39.28 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.716 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.494 HD21 ' HD3' ' A' ' 65' ' ' LYS . 3.3 tm? -53.1 -46.63 68.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.939 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 26.1 m-85 -64.7 -49.57 70.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.402 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.67 85.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.89 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.4 m -64.25 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.515 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' HD3' HD21 ' A' ' 61' ' ' LEU . 5.0 mptp? -80.92 -29.56 35.51 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.013 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.85 -36.96 80.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 109.884 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.25 -29.84 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.434 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -75.65 -10.57 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.041 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.9 48.33 1.09 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.438 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD21 HG21 ' A' ' 75' ' ' VAL . 34.9 tp -96.29 139.89 31.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.417 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 37.0 m -73.71 133.96 79.17 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.802 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 71' ' ' SER . 50.5 Cg_exo -54.58 -37.39 90.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.295 2.664 . . . . 0.0 112.931 -177.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -65.09 -40.2 94.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.219 0.533 . . . . 0.0 110.491 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 78' ' ' ILE . 18.2 ttm180 -66.56 -34.47 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.815 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.406 HG21 HD21 ' A' ' 70' ' ' LEU . 99.7 t -60.06 -41.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.19 175.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.4 -41.66 98.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.546 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.44 ' CE2' HG22 ' A' ' 36' ' ' VAL . 58.6 t80 -62.84 -47.4 83.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.968 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 74' ' ' ARG . 69.7 mt -57.56 -35.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.002 0.429 . . . . 0.0 110.518 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.462 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 51.0 t-80 -66.23 -40.8 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.242 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.96 -36.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.483 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.54 -35.45 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.619 HD12 ' HE3' ' A' ' 86' ' ' MET . 35.1 tp -69.72 -35.32 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.946 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.38 -40.16 85.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.972 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.4 -58.28 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.04 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.619 ' HE3' HD12 ' A' ' 82' ' ' LEU . 48.4 mtt -83.49 -4.71 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.032 -177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -66.9 -45.18 78.75 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -71.2 -36.53 71.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.7 91.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.993 0.425 . . . . 0.0 110.417 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.556 ' HA ' ' HB2' ' A' ' 95' ' ' LEU . 45.8 ttp180 -57.8 -55.79 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.403 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -79.26 9.73 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.398 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.541 ' HB3' HD21 ' A' ' 94' ' ' LEU . 6.8 t -100.69 -9.33 21.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.38 0.26 56.91 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.457 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 92' ' ' SER . 4.2 mm? -80.11 -43.09 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.888 0.375 . . . . 0.0 110.455 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 90' ' ' ARG . 3.7 mm? -111.28 120.74 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.511 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.565 ' HG ' ' HG2' ' A' ' 97' ' ' GLN . 6.6 tp -69.05 -48.88 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.264 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.565 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 75.0 mm-40 -121.23 163.82 17.93 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.026 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.481 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 43.2 t-20 -87.95 110.01 32.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 98' ' ' ASN . 5.8 Cg_exo -77.28 -15.8 15.79 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 112.81 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -70.12 -33.38 71.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.648 0.261 . . . . 0.0 111.27 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -76.82 -26.68 54.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.147 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.77 -10.03 57.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.249 0.547 . . . . 0.0 110.816 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.51 93.52 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.5 tttm . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.688 -179.218 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 24.0 p . . . . . 0 C--O 1.235 0.321 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 48' ' ' ILE . 64.6 t -54.27 -49.69 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.347 0.404 . . . . 0.0 111.818 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.97 -43.75 98.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.375 . . . . 0.0 111.301 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -71.46 -36.83 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -73.33 -50.09 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.56 -46.24 90.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.32 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.61 -44.82 85.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.479 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.2 -42.4 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.951 0.405 . . . . 0.0 110.386 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.5 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.098 -176.72 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.504 ' HB2' ' OH ' ' A' ' 77' ' ' TYR . 5.3 m . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.414 0.15 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.465 ' CD2' HG22 ' A' ' 81' ' ' VAL . 66.5 m-85 -54.78 -40.0 68.99 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -55.84 -38.84 70.59 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.57 -177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -90.22 -56.62 3.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.5 HG22 HG21 ' A' ' 81' ' ' VAL . 27.6 m -59.94 -34.38 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -171.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.567 ' O ' HG11 ' A' ' 41' ' ' VAL . 36.9 tp -60.35 -64.81 0.82 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.115 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.674 ' HB2' HD13 ' A' ' 42' ' ' ILE . 17.4 ptt-85 -66.23 -27.66 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 -174.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.5 -37.32 79.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.443 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.417 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 11.5 p80 -92.72 -33.96 14.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -172.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 37' ' ' LEU . 9.2 p -102.22 -35.55 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -171.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.674 HD13 ' HB2' ' A' ' 38' ' ' ARG . 28.8 mt -63.21 -53.5 53.41 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.53 -3.43 13.85 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 121.625 1.55 . . . . 0.0 113.208 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.1 p -107.54 -63.35 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 111.67 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.48 18.65 21.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -58.87 -32.8 71.04 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.023 -175.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 t -84.99 8.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.182 0.491 . . . . 0.0 110.899 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 9' ' ' VAL . 43.7 mm -96.35 129.99 32.01 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.201 177.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HG2' ' HD2' ' A' ' 52' ' ' LYS . 21.5 Cg_exo -65.97 147.45 84.7 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 172.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.17 -31.18 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.845 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.22 5.3 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.567 ' HD2' ' HG2' ' A' ' 49' ' ' PRO . 46.9 mttp -116.69 10.22 14.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 109.993 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.48 HD12 HD13 ' A' ' 58' ' ' ILE . 3.0 tm? -79.84 102.94 9.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.618 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -100.7 151.27 37.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.855 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.1 -31.09 89.29 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.917 2.411 . . . . 0.0 112.438 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.62 95.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.062 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.22 -33.59 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.48 HD13 HD12 ' A' ' 53' ' ' LEU . 46.2 mt -68.12 -47.36 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.222 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.57 -40.75 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.04 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -58.15 -46.42 85.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.301 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 3.0 tm? -58.49 -43.81 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 21.4 m-30 -62.33 -43.49 98.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.418 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -44.72 65.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.57 0.544 . . . . 0.0 111.509 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.2 m -61.66 -45.6 93.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.996 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 19.5 pttp -72.25 -23.37 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.913 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.59 -39.82 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.29 -33.31 63.15 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.228 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -68.21 -7.81 33.56 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.663 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.04 6.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.451 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.8 mt -78.75 159.26 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.5 m -101.51 152.87 38.11 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.235 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.405 ' HA ' HG21 ' A' ' 75' ' ' VAL . 72.4 Cg_exo -50.49 -39.74 54.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.174 2.582 . . . . 0.0 113.125 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.5 p -58.55 -44.72 89.74 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.278 0.561 . . . . 0.0 111.01 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.418 ' O ' HG13 ' A' ' 78' ' ' ILE . 23.7 mmt180 -67.96 -44.94 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.711 -177.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.405 HG21 ' HA ' ' A' ' 72' ' ' PRO . 5.9 m -71.05 -23.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.993 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -68.56 -44.07 75.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.504 ' OH ' ' HB2' ' A' ' 32' ' ' SER . 63.8 t80 -65.37 -38.62 90.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.33 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.56 HG21 ' HE2' ' A' ' 65' ' ' LYS . 77.3 mt -61.81 -31.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.987 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.426 ' HD2' ' OH ' ' A' ' 62' ' ' TYR . 12.0 t-160 -68.78 -42.39 77.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.708 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.9 m -78.05 -36.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.674 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 78' ' ' ILE . 11.3 p -65.73 -35.57 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.879 0.371 . . . . 0.0 110.638 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.441 HD21 ' HH ' ' A' ' 62' ' ' TYR . 35.8 tp -66.97 -47.48 71.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.074 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.81 -38.56 88.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.16 -60.01 4.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.245 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.52 -27.92 58.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.947 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.4 ttm -69.55 -21.08 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 68.9 m -65.78 -33.2 75.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -65.36 -35.52 81.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.721 0.296 . . . . 0.0 110.878 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.63 80.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -64.26 -49.86 70.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.484 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 87' ' ' SER . 41.3 mt-10 -58.98 -41.24 87.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 m -68.08 -9.49 46.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.68 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 -2.81 78.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.597 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.66 -40.08 84.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.526 0.679 . . . . 0.0 109.465 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.1 tp -116.9 137.86 51.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.403 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.697 HD21 ' H ' ' A' ' 96' ' ' LEU . 2.5 pt? -89.4 -17.71 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.456 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 11.9 pt20 -146.08 -179.81 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.349 . . . . 0.0 111.371 -173.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.531 ' ND2' ' HB2' ' A' ' 101' ' ' GLU . 19.3 t30 -105.79 95.45 10.58 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.773 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 7.2 Cg_exo -73.12 -17.29 24.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.963 2.442 . . . . 0.0 112.015 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.56 -14.1 61.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.531 ' HB2' ' ND2' ' A' ' 98' ' ' ASN . 10.7 tp10 -79.09 -39.47 33.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 -5.35 59.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.74 95.2 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.905 175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.426 -175.84 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.702 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 42.8 p . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.425 0.155 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.702 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 59.2 t -61.94 -35.44 68.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.991 0.425 . . . . 0.0 110.247 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HG2' HG22 ' A' ' 42' ' ' ILE . 5.9 mt-10 -55.33 -49.77 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.409 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.49 -28.98 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.321 -174.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -66.71 -45.28 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.04 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.37 -31.67 69.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.09 -46.97 82.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.693 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -71.47 -37.95 71.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.309 0.576 . . . . 0.0 109.918 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.3 t90 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.714 -174.019 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 120.759 0.314 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.725 ' HA ' HG22 ' A' ' 36' ' ' VAL . 31.2 p90 -76.79 -28.15 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -60.02 -27.25 66.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.292 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 m -91.73 -56.02 3.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.006 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 33' ' ' TYR . 28.9 m -63.63 -40.88 90.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -170.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' HG11 ' A' ' 41' ' ' VAL . 74.0 mt -65.4 -59.97 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.079 -175.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.525 ' HB2' HD12 ' A' ' 42' ' ' ILE . 31.8 ptt180 -60.13 -35.88 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.117 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.46 -35.46 81.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.654 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -100.55 -46.02 5.34 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -173.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.559 HG11 ' O ' ' A' ' 37' ' ' LEU . 8.6 p -100.43 -20.09 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -167.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 38' ' ' ARG . 8.2 mt -71.04 -50.88 11.27 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.335 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 19.8 Cg_exo -66.97 -19.2 52.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.832 1.688 . . . . 0.0 112.254 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -97.1 -67.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.066 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD13 HD22 ' A' ' 53' ' ' LEU . 68.1 mt -106.01 3.77 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.229 -173.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.702 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -59.94 -30.43 69.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.339 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 m -81.35 -1.22 44.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.789 0.328 . . . . 0.0 111.58 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.493 ' O ' HG21 ' A' ' 9' ' ' VAL . 42.1 mm -95.73 128.16 38.77 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.58 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.634 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 34.6 Cg_exo -57.63 140.37 93.23 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.626 2.217 . . . . 0.0 111.504 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -56.94 -40.81 77.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.43 -2.71 43.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 111.341 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.634 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 57.6 tttp -103.46 -32.35 9.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.623 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 45' ' ' LEU . 2.9 tm? -53.48 123.88 13.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.941 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 56.7 mt-30 -117.81 159.92 40.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.701 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.32 -24.71 69.37 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.777 2.318 . . . . 0.0 112.709 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.65 74.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB3' HD21 ' A' ' 45' ' ' LEU . 20.2 m-20 -69.66 -42.31 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.303 0.573 . . . . 0.0 110.086 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.7 mt -69.11 -34.64 64.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.134 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -57.08 -48.01 79.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.76 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -62.41 -39.11 92.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.887 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.55 -49.46 76.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.193 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.2 m-85 -59.88 -53.13 61.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.633 177.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.95 84.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.689 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.4 t -62.98 -41.33 99.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -79.27 -33.09 43.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.398 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.519 HD23 HG13 ' A' ' 75' ' ' VAL . 3.4 mm? -63.79 -34.07 77.08 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.092 0.473 . . . . 0.0 110.028 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.82 -32.93 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.527 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.9 m -78.01 -22.19 49.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.938 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.37 42.97 4.13 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.24 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.499 HD21 HD22 ' A' ' 66' ' ' LEU . 1.5 pt? -81.26 161.24 24.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.3 m -67.26 129.27 93.82 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.849 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.69 -34.3 83.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.118 2.545 . . . . 0.0 112.996 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 p -62.22 -30.46 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.96 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.528 ' O ' HG12 ' A' ' 78' ' ' ILE . 18.9 tpp85 -72.0 -52.2 18.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.319 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.519 HG13 HD23 ' A' ' 66' ' ' LEU . 14.6 p -68.95 -27.86 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.004 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.7 -41.74 91.97 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.01 -42.22 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.077 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 74' ' ' ARG . 51.0 mm -56.64 -40.84 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.383 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.491 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 19.3 t-80 -60.35 -45.4 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.5 -36.77 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.729 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.419 HG11 ' HA ' ' A' ' 78' ' ' ILE . 11.1 p -72.97 -37.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.82 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HG ' HG23 ' A' ' 100' ' ' THR . 25.2 tp -73.6 -29.51 62.43 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.443 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 55.2 t-80 -61.11 -51.17 70.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.572 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.48 -50.26 74.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.015 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.08 87.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.018 -176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.22 -25.97 61.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.537 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 51.5 m -71.17 -28.36 64.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.671 0.272 . . . . 0.0 110.423 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -41.71 98.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.647 ' HB1' HD13 ' A' ' 94' ' ' LEU . . . -64.61 -41.12 96.41 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.516 176.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.79 -46.09 91.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.012 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 87' ' ' SER . 48.8 mm-40 -65.46 -25.0 67.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.312 -179.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -78.88 -14.9 58.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.635 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.99 -2.9 85.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.906 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.647 HD13 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -81.67 -14.48 56.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.238 0.542 . . . . 0.0 110.295 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.7 tp -120.87 123.14 41.82 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.53 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.711 HD23 ' H ' ' A' ' 96' ' ' LEU . 2.2 pt? -77.93 -30.57 50.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.641 -174.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.475 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 4.9 pp0? -138.32 153.8 49.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.72 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -94.74 104.71 15.27 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 15.3 Cg_exo -67.82 -26.04 38.81 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 111.874 -176.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.443 ' OG1' ' HA ' ' A' ' 83' ' ' HIS . 2.1 p -82.74 -9.9 59.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.371 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.06 -33.66 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 109.6 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.56 25.92 11.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.868 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.6 112.46 22.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.17 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 44.1 mttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.579 -177.516 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.687 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 10.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.21 -46.03 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB3' HG12 ' A' ' 42' ' ' ILE . 12.5 pt-20 -68.31 -17.34 64.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.553 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.687 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -65.86 -62.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.789 -178.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -71.17 -24.99 62.35 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.781 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.543 HD12 ' HG2' ' A' ' 34' ' ' GLU . 1.5 mm? -63.64 -44.62 93.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.061 0.458 . . . . 0.0 110.334 173.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -73.37 -24.36 60.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 11.1 mmm-85 -73.2 -41.46 63.77 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.741 0.782 . . . . 0.0 108.999 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.773 178.319 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.697 0.284 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.488 ' HA ' HG23 ' A' ' 81' ' ' VAL . 62.0 m-85 -83.46 -35.17 25.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.579 . . . . 0.0 110.603 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.543 ' HG2' HD12 ' A' ' 13' ' ' LEU . 3.1 tm-20 -79.8 -47.74 14.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.072 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -57.08 -51.72 68.14 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG22 HG11 ' A' ' 81' ' ' VAL . 16.1 m -59.72 -37.96 73.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.442 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.3 mp -64.88 -63.69 1.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.808 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.615 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 11.5 ptm180 -59.45 -39.29 83.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.005 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.52 -40.81 96.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -101.12 -52.03 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 37' ' ' LEU . 14.6 m -96.37 -10.61 8.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -168.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.615 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -77.46 -43.65 2.55 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.49 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.602 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 26.0 Cg_exo -64.9 -14.69 46.5 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.819 1.679 . . . . 0.0 112.096 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.8 p -106.6 -67.33 0.95 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.686 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.1 mt -105.82 -2.12 23.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.221 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -63.14 -30.89 78.88 Favored Glycine 0 CA--C 1.513 -0.057 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.283 -175.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 m -88.67 8.78 26.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.804 0.335 . . . . 0.0 111.129 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.5 mt -104.69 126.25 31.79 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.98 137.74 80.05 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.538 2.159 . . . . 0.0 111.868 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -27.81 67.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.924 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.45 -19.59 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.03 0.443 . . . . 0.0 110.874 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -104.95 -10.59 17.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.245 0.545 . . . . 0.0 110.308 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.55 117.01 6.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.659 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -95.41 148.19 34.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.108 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.27 -24.12 72.79 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.639 2.226 . . . . 0.0 111.88 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.82 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.24 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -71.1 -42.32 69.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.365 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.208 0.528 . . . . 0.0 109.844 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.523 ' HG2' ' HB3' ' A' ' 104' ' ' LYS . 0.7 OUTLIER -56.0 -53.47 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.446 174.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.62 -39.29 83.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.107 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -57.78 -51.44 69.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.844 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.16 -43.17 99.31 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.955 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.74 84.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.712 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.5 m -63.52 -34.46 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.137 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.678 ' HZ1' HD11 ' A' ' 70' ' ' LEU . 3.5 mmmp? -58.35 -49.35 77.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -75.93 -32.42 59.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.336 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -55.71 -39.68 71.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -74.5 -4.4 36.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.427 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.35 40.4 13.38 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.743 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.678 HD11 ' HZ1' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -90.08 147.8 23.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -178.202 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.2 m -60.12 133.99 90.37 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 123.316 0.385 . . . . 0.0 111.192 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -52.21 -35.94 65.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.783 2.988 . . . . 0.0 113.838 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.0 m -65.63 -33.95 77.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 110.381 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.452 ' O ' HD12 ' A' ' 78' ' ' ILE . 22.7 mmt85 -80.77 -2.54 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.395 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -95.51 -42.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -57.4 -53.09 62.04 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.56 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -57.1 -54.11 50.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.232 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.472 ' HA ' HG13 ' A' ' 81' ' ' VAL . 1.8 mp -59.04 -40.23 80.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.58 -53.31 53.51 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.935 0.397 . . . . 0.0 110.718 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.58 -53.8 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.253 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG23 ' HA ' ' A' ' 33' ' ' TYR . 13.9 p -63.08 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.602 -174.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.56 -42.48 98.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.328 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.437 ' CD2' ' HB ' ' A' ' 100' ' ' THR . 20.7 m80 -60.38 -56.83 16.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.655 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.71 -28.16 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -174.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.75 86.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 110.639 177.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.15 -24.52 54.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.073 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.646 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 66.8 m -59.36 -37.21 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -56.59 -41.27 76.7 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.75 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.2 -39.31 92.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.778 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.528 HH11 ' HB3' ' A' ' 98' ' ' ASN . 55.9 ttp180 -64.24 -51.07 65.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.51 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 87' ' ' SER . 6.1 mm-40 -63.93 -23.38 67.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.141 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -70.18 -25.7 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.043 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.15 2.77 51.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.901 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.75 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -89.31 -18.61 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 110.192 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.3 tp -130.3 117.48 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.468 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -88.41 -25.52 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.526 -176.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.542 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.3 mt-30 -100.97 169.76 8.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.807 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.528 ' HB3' HH11 ' A' ' 90' ' ' ARG . 6.7 p30 -122.76 98.24 43.21 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.615 0.722 . . . . 0.0 110.659 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.6 -17.05 11.45 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.042 2.495 . . . . 0.0 111.526 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.437 ' HB ' ' CD2' ' A' ' 83' ' ' HIS . 3.5 p -74.6 -50.86 16.26 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.751 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.63 -18.91 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.914 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 11.53 23.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.553 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.09 146.75 25.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.523 ' HB3' ' HG2' ' A' ' 59' ' ' GLN . 35.7 tttp . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 112.356 -171.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.521 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 13.0 p . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 120.809 0.338 . . . . 0.0 111.341 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.579 ' HA ' ' NE1' ' A' ' 12' ' ' TRP . 59.8 t -62.84 -37.09 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.311 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.67 -23.3 67.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.334 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.13 -52.13 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.667 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.579 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 61.7 p-90 -79.29 -24.3 42.99 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.023 -176.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 42' ' ' ILE . 24.0 mt -71.89 -34.5 69.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.678 174.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -57.85 -41.89 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 174.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 3.3 mmp_? -67.34 -45.13 77.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.313 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.9 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 36' ' ' VAL . 34.8 m . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 111.407 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.07 -42.91 95.55 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -170.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -82.16 -33.19 29.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.391 0.615 . . . . 0.0 109.578 -177.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.9 m -63.91 -54.07 40.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.252 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 32' ' ' SER . 35.2 m -66.21 -30.51 50.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.707 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.587 ' O ' HG13 ' A' ' 41' ' ' VAL . 25.9 tp -65.58 -65.25 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.684 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 37.7 ptt180 -68.26 -37.18 80.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -174.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.31 -33.4 74.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.732 0.301 . . . . 0.0 111.644 -177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -95.2 -48.32 5.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 37' ' ' LEU . 10.0 p -100.62 -18.91 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.684 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -69.49 -47.42 26.24 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.673 -0.642 . . . . 0.0 112.221 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 59.4 Cg_endo -72.96 -5.14 16.68 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 121.519 1.48 . . . . 0.0 112.826 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 41' ' ' VAL . 9.5 p -108.22 -66.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.899 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.716 ' HG ' HD13 ' A' ' 48' ' ' ILE . 11.2 mp -107.72 9.27 29.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -175.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.521 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -63.95 -24.03 68.11 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.873 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -95.61 19.01 11.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 111.182 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.716 HD13 ' HG ' ' A' ' 45' ' ' LEU . 42.2 mt -106.67 125.32 33.04 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.032 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.719 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 21.6 Cg_endo -61.55 144.63 97.91 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.791 2.328 . . . . 0.0 112.064 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.438 HD12 HD13 ' A' ' 94' ' ' LEU . 95.2 mt -69.67 -25.73 64.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -168.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -83.6 -26.61 29.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.773 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.719 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 6.6 tmtm? -78.93 -22.31 45.98 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.27 106.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -93.79 157.93 37.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.763 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.94 -26.1 81.42 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 121.876 1.717 . . . . 0.0 110.572 168.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.31 68.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.915 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -71.42 -36.49 71.34 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.4 mt -67.3 -40.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.701 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -59.31 -43.93 92.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.437 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.71 -43.03 89.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.917 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.496 HD23 HD12 ' A' ' 45' ' ' LEU . 2.8 tm? -54.41 -46.86 73.25 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.272 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 27.5 m-85 -65.05 -46.4 81.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.28 -52.04 63.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.661 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.9 m -69.46 -17.24 63.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.09 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 5.4 mmtm -97.61 -28.54 13.89 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.571 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.65 -36.31 83.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.33 -31.86 64.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.25 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.4 m -77.46 -4.91 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.225 -177.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.47 34.98 6.38 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.111 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -76.81 128.93 35.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 75' ' ' VAL . 41.6 m -62.93 128.41 92.07 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.141 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.54 -36.7 40.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.501 2.801 . . . . 0.0 113.148 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -63.06 -41.12 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.283 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.531 ' O ' HG12 ' A' ' 78' ' ' ILE . 60.9 ttm-85 -81.72 -27.55 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.373 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 71' ' ' SER . 94.9 t -60.3 -42.41 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.44 0.638 . . . . 0.0 109.329 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -69.53 -33.67 73.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.159 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.16 -47.46 79.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.687 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 74' ' ' ARG . 50.8 mm -61.91 -35.43 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.26 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.479 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 25.4 t-80 -60.24 -44.44 95.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.233 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.58 -39.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.478 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -69.26 -37.96 76.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.54 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.54 -33.06 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.484 ' HA ' HG22 ' A' ' 100' ' ' THR . 0.2 OUTLIER -52.83 -54.07 39.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.536 176.307 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 13.5 pt-20 -77.44 -38.95 48.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.538 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.46 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 0.0 111.568 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.764 ' HE2' ' HA ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -72.13 -30.44 65.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.464 . . . . 0.0 110.122 179.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 t -65.75 -30.95 71.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.257 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 21.7 mt-30 -59.3 -39.15 82.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.327 175.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.935 ' HB3' HD12 ' A' ' 94' ' ' LEU . . . -65.54 -41.36 93.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.334 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.744 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 19.9 ttp180 -59.21 -52.34 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.385 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -77.19 1.99 16.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.484 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.6 t -92.79 -8.53 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 172.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 -8.0 79.43 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.026 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.935 HD12 ' HB3' ' A' ' 89' ' ' ALA . 4.6 pp -87.67 -8.24 56.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 110.866 -176.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.744 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 25.5 tp -132.14 135.46 46.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.498 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.744 HD23 ' H ' ' A' ' 96' ' ' LEU . 2.1 pt? -78.22 -32.05 49.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.478 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 4.1 pt20 -145.92 -174.7 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.014 -175.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.83 100.31 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.317 0.579 . . . . 0.0 111.009 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.19 -14.16 37.4 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.74 2.294 . . . . 0.0 111.309 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -65.13 -34.58 78.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.974 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -70.87 -19.74 62.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.14 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.61 4.78 38.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.601 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -93.32 99.6 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.277 0.561 . . . . 0.0 110.126 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 pttt . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.94 -176.627 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.436 ' OG1' ' HG3' ' A' ' 11' ' ' GLN . 67.5 p . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 120.577 0.227 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.773 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.6 t -62.55 -41.69 92.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.734 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -36.11 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.889 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.436 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 51.8 mt-30 -70.08 -33.7 72.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.115 0.483 . . . . 0.0 110.321 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -66.84 -50.37 62.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.822 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.755 HD13 HD11 ' A' ' 42' ' ' ILE . 83.8 mt -66.11 -36.57 83.52 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -54.89 -46.19 74.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.907 0.384 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.71 -35.67 38.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.789 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.154 176.576 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -80.3 -30.84 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.102 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 58.8 mm-40 -55.6 -57.64 11.11 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.313 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -54.56 -63.92 1.0 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.616 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -56.74 -38.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.592 ' O ' HG21 ' A' ' 41' ' ' VAL . 19.6 tp -66.24 -64.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.305 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 18.0 ptp180 -57.85 -43.31 85.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.154 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.1 tp -62.75 -41.65 99.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.967 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -100.15 -42.15 6.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -170.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.592 HG21 ' O ' ' A' ' 37' ' ' LEU . 4.1 m -100.42 -16.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.755 HD11 HD13 ' A' ' 13' ' ' LEU . 15.8 mm -72.68 -53.55 5.53 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 120.217 -0.593 . . . . 0.0 112.305 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 Cg_exo -66.37 -8.56 21.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 121.902 1.735 . . . . 0.0 112.681 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 p -107.19 -67.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.83 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 57' ' ' ASP . 3.5 mm? -98.24 -17.81 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.397 -176.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.773 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.23 -34.5 90.13 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.468 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.6 m -77.91 7.64 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.979 0.419 . . . . 0.0 111.357 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.402 HG23 ' HD3' ' A' ' 52' ' ' LYS . 71.2 mt -116.89 133.61 23.06 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.167 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.89 145.66 98.71 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.74 2.293 . . . . 0.0 111.547 174.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.63 ' HB3' HD12 ' A' ' 95' ' ' LEU . 4.9 mp -66.57 -23.78 66.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -175.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -1.88 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.799 0.333 . . . . 0.0 111.246 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 35.5 tttm -123.23 7.75 9.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 173.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 58' ' ' ILE . 2.7 tm? -72.56 99.31 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.446 0.641 . . . . 0.0 109.602 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -94.89 140.5 22.53 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.231 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.07 -34.18 94.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.038 2.492 . . . . 0.0 112.215 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.5 90.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.512 ' HB3' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.07 -32.08 66.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.557 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.667 HD13 HD13 ' A' ' 53' ' ' LEU . 71.2 mt -64.82 -46.07 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.949 174.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.51 -38.04 89.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.139 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -61.08 -38.75 87.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.474 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.83 -46.82 84.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.419 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.6 m-85 -62.91 -47.5 82.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.25 99.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.503 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -67.5 -39.56 85.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.789 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.901 ' HB3' HD12 ' A' ' 70' ' ' LEU . 3.8 mptp? -78.57 -20.35 50.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.276 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.81 -42.05 95.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.6 -27.1 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.652 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.8 m -67.19 -22.05 65.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.59 5.5 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.936 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.901 HD12 ' HB3' ' A' ' 65' ' ' LYS . 72.1 mt -86.56 128.22 34.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.607 -0.349 . . . . 0.0 110.166 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 74' ' ' ARG . 24.3 p -70.98 151.14 95.05 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.84 -36.71 43.67 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.364 2.709 . . . . 0.0 113.414 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -69.56 -34.08 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 111.694 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HG2' ' OG ' ' A' ' 71' ' ' SER . 30.3 mmm-85 -75.19 -37.75 61.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.306 0.574 . . . . 0.0 109.645 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 80' ' ' VAL . 67.2 ttt180 -58.89 -44.86 91.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.939 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.5 -46.76 86.98 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.783 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.515 ' HA ' HG12 ' A' ' 81' ' ' VAL . 74.5 mt -57.15 -39.65 68.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.697 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.419 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 30.9 t-80 -62.91 -37.06 85.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 76' ' ' ARG . 86.7 t -75.18 -45.38 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.306 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 78' ' ' ILE . 14.2 p -68.71 -38.81 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.02 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.439 ' HG ' HG23 ' A' ' 100' ' ' THR . 32.5 tp -70.01 -35.44 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.41 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 48.2 t-80 -58.5 -49.51 77.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.018 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.5 -56.95 15.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.187 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.42 -46.07 80.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.606 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 mmt -74.7 -19.1 60.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.909 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -70.61 -42.31 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.938 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -67.38 -41.73 84.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.149 176.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.603 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -59.77 -39.99 86.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 175.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.617 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 34.2 ttt180 -59.02 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.985 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.54 -18.36 65.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.657 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m -83.27 0.26 46.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.6 11.59 77.18 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.365 175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 89' ' ' ALA . 4.6 pp -100.75 -0.14 37.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.204 0.526 . . . . 0.0 110.664 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' A' ' 50' ' ' LEU . 13.9 tp -114.76 -98.3 0.44 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.875 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.535 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 44.4 tp 170.94 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.687 0.756 . . . . 0.0 109.211 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.535 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 49.7 mt-30 -144.86 -171.1 3.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.099 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -107.59 94.9 12.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 121.723 0.773 . . . . 0.0 110.52 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -82.89 -17.72 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.457 2.105 . . . . 0.0 112.061 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.439 HG23 ' HG ' ' A' ' 82' ' ' LEU . 9.0 p -74.43 -18.71 60.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.437 ' O ' ' HE2' ' A' ' 104' ' ' LYS . 27.6 tt0 -91.7 -27.33 18.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.75 -29.0 40.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.94 134.72 38.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.437 ' HE2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.567 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.713 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 77.7 p . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.994 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 60.9 t -56.36 -41.88 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HA ' HG13 ' A' ' 42' ' ' ILE . 11.5 pt-20 -68.56 -42.78 77.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.633 0.254 . . . . 0.0 111.322 -177.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.81 -39.42 83.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 0.0 110.571 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -71.71 -38.9 70.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.656 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.649 ' HG ' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -58.19 -47.82 82.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -177.724 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.968 0.413 . . . . 0.0 110.553 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -67.22 -32.43 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.1 t90 . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.636 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.542 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.7 m . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.403 ' HA ' HG22 ' A' ' 81' ' ' VAL . 8.3 m-85 -51.96 -62.43 1.64 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.771 0.669 . . . . 0.0 112.343 -170.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -60.77 -46.39 90.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.284 -174.314 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 m -56.47 -54.07 50.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.132 -175.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 32' ' ' SER . 21.5 m -68.05 -39.61 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 CA-C-O 120.986 0.422 . . . . 0.0 111.335 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.61 ' O ' HG11 ' A' ' 41' ' ' VAL . 17.5 tp -65.52 -56.11 14.12 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.577 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 15.7 ptm180 -60.56 -37.8 82.46 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -176.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.58 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.614 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.431 ' HD1' ' HG2' ' A' ' 65' ' ' LYS . 94.6 m-70 -91.77 -46.81 7.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.61 HG11 ' O ' ' A' ' 37' ' ' LEU . 13.0 p -92.0 -32.46 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.649 HD12 ' HG ' ' A' ' 13' ' ' LEU . 1.4 mp -62.95 -48.38 84.95 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.51 -37.78 90.12 Favored 'Trans proline' 0 C--N 1.355 0.868 0 C-N-CA 122.108 1.872 . . . . 0.0 113.696 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.409 HG22 HD12 ' A' ' 45' ' ' LEU . 3.5 t -107.51 -51.19 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 57' ' ' ASP . 11.1 mp -95.02 -9.23 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.127 -0.358 . . . . 0.0 111.358 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.994 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.65 -30.74 78.54 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.192 -176.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -80.81 5.31 16.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.7 mt -102.28 131.68 22.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.713 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 11.2 Cg_endo -57.3 144.1 91.97 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.405 2.07 . . . . 0.0 111.586 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD23 HG21 ' A' ' 9' ' ' VAL . 90.3 mt -53.59 -39.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -80.76 -1.68 43.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.635 0.255 . . . . 0.0 111.6 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HB2' ' HG2' ' A' ' 49' ' ' PRO . 33.2 tttm -106.37 -3.46 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.345 0.593 . . . . 0.0 109.697 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.786 HD12 HD13 ' A' ' 58' ' ' ILE . 3.3 tm? -69.32 129.97 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.683 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -118.51 144.45 35.31 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.639 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 30.2 Cg_endo -63.77 -24.18 68.78 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.03 2.486 . . . . 0.0 112.589 -179.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.56 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.496 ' HB3' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.05 -30.14 63.49 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.944 178.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.786 HD13 HD12 ' A' ' 53' ' ' LEU . 62.8 mt -63.16 -46.85 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.215 0.531 . . . . 0.0 110.074 175.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.83 -36.48 84.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.174 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -66.48 -35.98 81.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.479 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.92 -46.78 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.2 m-85 -60.35 -48.91 79.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.78 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.15 -46.55 90.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.298 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.7 t -65.85 -39.18 90.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HB3' HD11 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -79.59 -21.26 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.569 0.223 . . . . 0.0 111.353 -178.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.99 -36.89 83.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.87 -22.98 66.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.964 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -72.83 -20.61 61.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.103 0.478 . . . . 0.0 110.444 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.66 49.55 0.96 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.798 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 65' ' ' LYS . 93.3 mt -99.26 139.91 34.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.7 m -72.91 145.76 86.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.293 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.56 -43.26 39.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.2 2.6 . . . . 0.0 112.99 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -32.33 73.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -73.71 -41.07 63.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.901 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.07 -36.01 76.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.825 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.452 ' O ' HG22 ' A' ' 80' ' ' VAL . 70.2 ttt180 -56.88 -46.62 81.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.385 176.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.61 -42.45 96.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.623 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.34 -41.47 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.335 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.45 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 47.2 t-80 -65.57 -39.13 91.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 76' ' ' ARG . 96.1 t -69.2 -53.33 26.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.217 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 33' ' ' TYR . 14.9 p -62.14 -37.47 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 0.0 110.915 -176.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HG ' HG21 ' A' ' 100' ' ' THR . 53.9 tp -65.85 -40.38 91.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.177 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -69.01 -43.75 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.501 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -67.69 -42.0 82.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.754 -175.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.74 -43.09 31.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.786 0.327 . . . . 0.0 111.347 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 22.2 mmt -83.02 5.29 22.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -175.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 55.1 p -66.35 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -57.13 -36.08 70.25 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.783 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HB1' HD22 ' A' ' 95' ' ' LEU . . . -61.88 -48.27 81.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.155 0.502 . . . . 0.0 110.715 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.82 -44.84 76.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 87' ' ' SER . 44.0 mt-10 -66.41 -30.33 70.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.681 -176.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -84.41 -4.08 58.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.28 0.562 . . . . 0.0 110.006 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.63 9.94 86.62 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.32 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 3.4 pp -85.72 -15.74 41.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.067 0.461 . . . . 0.0 109.959 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.517 HD22 ' HB1' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -113.81 138.4 50.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 170.559 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 37.3 tp -58.47 -54.47 46.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.614 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 54.3 mt-30 -138.85 -171.01 2.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.249 -174.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -103.76 95.49 7.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.614 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 3.2 Cg_exo -77.24 -23.09 10.58 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.28 2.653 . . . . 0.0 112.205 -177.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.504 HG21 ' HG ' ' A' ' 82' ' ' LEU . 15.6 p -71.85 -21.03 61.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.309 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -91.89 -26.29 18.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.95 58.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.015 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.63 115.39 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.992 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.2 mttp . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.68 -172.885 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.632 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.9 p . . . . . 0 N--CA 1.446 -0.662 0 CA-C-O 121.018 0.437 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.804 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 21.6 t -68.38 -35.97 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.717 -178.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 11' ' ' GLN . 9.2 pt-20 -61.28 -41.15 96.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.873 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 47.3 tt0 -77.25 -39.85 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.673 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -63.26 -52.34 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.716 HD11 HD23 ' A' ' 37' ' ' LEU . 75.9 mt -56.97 -53.56 56.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.26 -38.65 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.735 0.303 . . . . 0.0 111.61 -174.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -72.87 -53.66 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.084 0.469 . . . . 0.0 110.177 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.684 -174.528 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' HG21 ' A' ' 36' ' ' VAL . 15.7 m . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -57.84 -49.83 75.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.683 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 30.9 tt0 -63.18 -46.43 87.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.107 0.48 . . . . 0.0 110.238 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -57.94 -61.57 2.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.814 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 32' ' ' SER . 33.4 m -63.16 -33.52 61.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.479 -174.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.716 HD23 HD11 ' A' ' 13' ' ' LEU . 20.0 tp -62.53 -68.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.578 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 38.2 ptt180 -63.37 -41.74 98.83 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.417 -173.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.38 -38.45 83.94 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.285 0.366 . . . . 0.0 111.734 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -100.53 -55.73 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -174.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 37' ' ' LEU . 18.8 m -99.32 -10.8 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -165.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.573 ' HB ' ' HA ' ' A' ' 38' ' ' ARG . 1.2 mp -72.71 -48.48 8.67 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.078 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.2 Cg_endo -72.16 -10.36 25.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.776 1.651 . . . . 0.0 112.763 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 p -107.12 -67.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.872 -177.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 57' ' ' ASP . 54.7 mt -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 -175.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.804 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -64.4 -22.6 67.68 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.855 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -90.45 3.61 53.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.917 0.389 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -101.57 128.58 28.69 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.316 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 51.5 Cg_exo -56.33 143.59 85.59 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.848 2.365 . . . . 0.0 112.333 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 94' ' ' LEU . 98.1 mt -57.73 -33.45 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.772 -177.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -87.74 5.44 39.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -177.607 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 84.5 tttt -115.18 -30.85 6.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.26 119.75 3.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.503 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -99.37 156.52 35.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.262 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.64 -28.22 76.73 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.074 1.849 . . . . 0.0 110.601 171.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.39 82.69 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.953 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' HB3' HD22 ' A' ' 45' ' ' LEU . 38.4 m-20 -62.11 -45.95 91.2 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.187 177.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.412 HG22 HD21 ' A' ' 82' ' ' LEU . 62.7 mt -64.46 -43.58 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.513 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.83 -41.76 98.19 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.403 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -65.17 -35.42 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.05 -49.11 76.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 43.4 m-85 -67.52 -44.88 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.736 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.25 82.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.772 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.7 m -66.96 -33.17 74.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.552 ' HB3' HD13 ' A' ' 70' ' ' LEU . 3.7 mptp? -82.32 -27.98 31.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.074 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.21 -33.42 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.56 -25.34 68.0 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.843 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 m -79.23 -14.7 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.905 0.383 . . . . 0.0 110.514 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.64 55.58 0.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.565 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 65' ' ' LYS . 40.8 mt -99.0 135.12 40.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.236 0.541 . . . . 0.0 111.745 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.6 t -67.96 144.91 97.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.974 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.62 -32.57 36.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.468 2.779 . . . . 0.0 112.963 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 p -71.24 -37.79 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.524 0.202 . . . . 0.0 111.385 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -44.82 81.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.18 0.514 . . . . 0.0 109.685 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.5 t -62.97 -34.14 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.293 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -68.23 -35.42 77.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.06 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.88 -46.52 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.461 ' HA ' HG11 ' A' ' 81' ' ' VAL . 59.9 mt -64.95 -30.45 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.593 0.711 . . . . 0.0 109.699 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.542 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 49.9 t-80 -63.17 -53.81 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.379 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.37 -41.48 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -67.04 -42.48 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.689 0.281 . . . . 0.0 111.119 -176.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.412 HD21 HG22 ' A' ' 58' ' ' ILE . 20.7 tp -71.56 -39.43 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.62 -177.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.427 ' HA ' ' CG2' ' A' ' 100' ' ' THR . 3.3 m80 -67.54 -42.17 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.296 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.66 -44.89 55.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.94 95.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.912 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.442 ' HB2' HG21 ' A' ' 100' ' ' THR . 54.1 mtt -72.41 -23.53 61.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.586 0.232 . . . . 0.0 111.398 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 58.5 m -66.51 -24.13 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.184 0.516 . . . . 0.0 110.134 176.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.84 -36.55 75.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.066 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.79 82.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.355 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -56.39 -52.69 63.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.714 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.07 -16.44 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.668 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -89.72 -9.36 49.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.3 5.32 79.82 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 50' ' ' LEU . 83.7 mt -84.26 -28.31 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.093 0.473 . . . . 0.0 110.263 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 97' ' ' GLN . 23.8 tp -120.18 129.15 53.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.099 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.749 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.3 pt? -84.6 -25.81 28.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 0.0 111.717 -172.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 48.8 mt-30 -133.6 179.67 6.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -113.21 93.67 27.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.133 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -77.69 -12.33 16.65 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 123.066 2.51 . . . . 0.0 110.934 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.442 HG21 ' HB2' ' A' ' 86' ' ' MET . 14.8 p -66.89 -58.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.18 -16.03 61.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.0 110.783 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.59 -14.48 56.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.651 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.19 98.06 9.7 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 mttm . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.084 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 1.3 p . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.605 0.24 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.499 ' HA ' HD23 ' A' ' 50' ' ' LEU . 58.8 t -55.55 -54.96 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.129 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.461 ' OE2' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -69.29 -21.77 63.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.3 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' HG2' ' OE2' ' A' ' 10' ' ' GLU . 88.5 mm-40 -60.9 -49.3 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.565 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.446 ' HB3' HD11 ' A' ' 50' ' ' LEU . 84.9 t90 -77.06 -43.34 34.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.04 -48.86 79.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.57 -174.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.61 -45.02 94.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.606 0.241 . . . . 0.0 110.476 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -63.23 -51.46 66.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -178.084 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.435 ' HB2' HG23 ' A' ' 81' ' ' VAL . 3.1 p90 -64.93 -28.01 69.24 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.452 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 tt0 -60.5 -41.66 94.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -71.75 -53.29 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.3 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 33' ' ' TYR . 19.9 m -62.6 -37.22 78.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.588 -173.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' HG13 ' A' ' 41' ' ' VAL . 33.4 tp -64.05 -67.48 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.83 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HA ' HD12 ' A' ' 42' ' ' ILE . 4.7 ptp180 -56.81 -38.25 72.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.217 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.31 -38.0 87.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.66 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -100.38 -47.85 4.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 37' ' ' LEU . 8.8 p -84.8 -25.42 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -169.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 38' ' ' ARG . 1.4 mp -70.55 -50.27 14.29 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.5 -9.64 26.04 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.053 1.835 . . . . 0.0 113.642 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 45' ' ' LEU . 6.3 t -102.25 -55.57 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 -179.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD22 HD23 ' A' ' 53' ' ' LEU . 4.0 pp -125.37 5.24 7.69 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.469 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.66 -15.98 71.54 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.004 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -90.78 4.21 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 110.325 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -110.4 134.55 20.79 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.184 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.574 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 53.3 Cg_exo -53.99 139.82 70.03 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.789 2.326 . . . . 0.0 112.269 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 9' ' ' VAL . 81.0 mt -56.32 -39.42 72.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.199 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -86.79 9.09 20.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.936 0.398 . . . . 0.0 111.252 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HE2' ' HG2' ' A' ' 49' ' ' PRO . 21.3 ttmm -115.19 -9.78 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.403 0.621 . . . . 0.0 109.399 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 HD23 HD22 ' A' ' 45' ' ' LEU . 3.2 tm? -67.74 122.13 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.761 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -101.15 139.46 20.49 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.593 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.524 ' HB2' ' HB2' ' A' ' 102' ' ' ALA . 11.2 Cg_endo -55.57 -28.69 66.28 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.3 2.666 . . . . 0.0 112.368 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.9 70.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HA ' ' HB3' ' A' ' 60' ' ' ARG . 2.2 t70 -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.63 -42.97 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.468 0.652 . . . . 0.0 109.69 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.44 -38.36 87.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.467 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HB3' ' HA ' ' A' ' 57' ' ' ASP . 11.2 ttt180 -61.52 -38.63 88.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.248 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.6 -51.46 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.038 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.441 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 29.0 m-85 -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.19 59.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.044 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -64.61 -43.12 94.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.201 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.37 -42.79 96.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 0.0 110.143 175.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.66 -27.95 68.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.413 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -73.39 -19.19 61.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.09 20.09 5.34 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.34 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.2 tp -73.17 139.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -60.87 123.98 77.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.165 2.577 . . . . 0.0 112.652 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 p -68.05 -40.46 82.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.101 0.476 . . . . 0.0 111.01 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 78' ' ' ILE . 97.2 mtt180 -72.74 -38.05 67.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.405 ' HA ' HD11 ' A' ' 78' ' ' ILE . 8.3 p -71.58 -24.09 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.195 0.521 . . . . 0.0 110.198 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -68.63 -36.24 78.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.958 173.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -70.04 -42.62 72.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.943 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 74' ' ' ARG . 92.1 mt -57.38 -41.42 78.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.613 176.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.441 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 39.5 t-80 -56.94 -46.57 81.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 p -78.75 -34.88 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 33' ' ' TYR . 12.4 p -77.1 -34.82 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.755 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 tt -67.93 -38.54 83.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.513 ' HA ' HG22 ' A' ' 100' ' ' THR . 53.6 t-80 -55.47 -43.17 75.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.536 175.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.56 -52.8 55.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.75 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -172.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.0 tpt -70.15 -21.18 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -171.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.5 m -67.43 -19.57 65.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 110.91 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.93 -19.4 61.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.37 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 94' ' ' LEU . . . -64.63 -32.52 74.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -73.43 -35.91 65.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.107 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 t -71.89 -15.53 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.66 8.52 84.5 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.923 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 4.2 pp -83.97 -20.82 32.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.093 0.473 . . . . 0.0 110.527 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 95' ' ' LEU . 14.4 tp -124.17 132.2 53.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.729 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.3 pt? -79.44 -25.78 41.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.769 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -134.83 177.14 8.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.486 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -108.27 116.32 56.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -80.48 -11.26 13.09 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.617 2.211 . . . . 0.0 113.083 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 83' ' ' HIS . 12.4 p -76.78 -19.72 57.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 111.685 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.29 -26.96 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 0.0 110.802 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 55' ' ' PRO . . . -95.41 10.31 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.034 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.4 102.9 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.827 -176.133 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.74 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 1.8 m . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.523 ' H ' HG23 ' A' ' 8' ' ' THR . 41.1 t -57.38 -45.51 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.676 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.74 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -64.17 -34.75 78.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -72.15 -42.55 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.402 ' HB2' HD13 ' A' ' 50' ' ' LEU . 24.0 t90 -64.38 -52.06 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.72 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.98 -38.61 79.52 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.164 0.29 . . . . 0.0 111.001 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -59.92 -45.09 93.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -76.03 -37.6 58.2 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.575 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.9 t90 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.358 -177.239 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.421 ' HB2' HG22 ' A' ' 81' ' ' VAL . 50.5 p90 -71.97 -20.11 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.249 -0.282 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 38' ' ' ARG . 14.7 tm-20 -71.77 -32.54 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -63.6 -56.01 19.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.765 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.93 -37.36 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.733 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 41' ' ' VAL . 70.7 mt -59.18 -66.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.975 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HB2' HD13 ' A' ' 42' ' ' ILE . 8.0 ptp180 -59.78 -33.94 72.36 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -176.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.72 -34.79 78.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.321 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.409 ' O ' HG21 ' A' ' 44' ' ' THR . 78.9 m80 -100.09 -45.28 5.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 37' ' ' LEU . 11.6 p -80.73 -37.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.554 HD13 ' HB2' ' A' ' 38' ' ' ARG . 47.2 mt -66.52 -50.3 47.65 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 29.7 Cg_exo -63.34 -30.81 73.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.802 1.668 . . . . 0.0 113.847 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.565 HG23 HD12 ' A' ' 45' ' ' LEU . 7.0 t -107.26 -22.97 12.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -171.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.767 ' HG ' HD12 ' A' ' 48' ' ' ILE . 5.4 mp -127.52 23.48 6.32 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.25 3.36 58.65 Favored Glycine 0 C--N 1.329 0.151 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.838 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -106.02 8.44 32.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.446 0.641 . . . . 0.0 109.532 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.767 HD12 ' HG ' ' A' ' 45' ' ' LEU . 62.6 mt -117.68 115.44 37.25 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.055 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.681 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 23.8 Cg_exo -62.99 154.53 66.42 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.967 2.445 . . . . 0.0 111.786 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 12' ' ' TRP . 84.2 mt -57.18 -37.3 71.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.739 -176.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -88.6 3.49 50.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.338 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.681 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 50.5 tttp -105.2 -15.91 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 HD11 HD13 ' A' ' 58' ' ' ILE . 2.9 tm? -63.57 105.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.815 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 13.8 mm100 -105.57 160.91 24.45 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.083 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.04 -29.91 67.45 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.698 2.266 . . . . 0.0 112.177 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . . . -67.56 -28.75 68.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 111.071 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.42 -30.49 42.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.132 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 99' ' ' PRO . 59.1 mt -74.33 -38.75 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.879 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 10.7 pt20 -66.84 -32.25 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.963 176.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -58.02 -42.5 85.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.37 -58.08 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.93 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.8 m-85 -57.81 -48.75 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.735 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.16 86.09 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -61.47 -35.73 78.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.981 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.851 ' HB3' HD13 ' A' ' 70' ' ' LEU . 10.0 mptt -88.23 -29.61 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.723 -177.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.19 -28.59 69.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.882 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.3 m -72.67 -12.85 61.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.5 13.39 7.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.426 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.851 HD13 ' HB3' ' A' ' 65' ' ' LYS . 42.4 mt -73.77 142.8 46.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.228 0.514 . . . . 0.0 110.525 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -83.54 149.01 56.61 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.17 -30.51 41.72 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.943 2.428 . . . . 0.0 112.764 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -70.98 -44.41 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.55 ' HG2' HD22 ' A' ' 70' ' ' LEU . 10.8 tpp180 -60.56 -45.42 93.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 -36.16 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.917 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.01 -38.0 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.906 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.61 -49.38 75.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.181 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.5 ' HA ' HG13 ' A' ' 81' ' ' VAL . 37.2 mm -53.81 -37.79 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.072 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.591 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 54.2 t-80 -62.26 -43.83 97.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 83' ' ' HIS . 61.9 t -69.47 -46.17 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.065 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 78' ' ' ILE . 8.3 p -69.99 -31.07 46.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.206 -177.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.5 tp -69.31 -33.19 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.242 0.544 . . . . 0.0 109.578 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 44.6 t-80 -60.55 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.846 174.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.81 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.681 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.51 -51.76 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.457 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -33.03 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.056 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.7 m -64.46 -41.79 96.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.539 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -61.96 -41.62 98.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.121 0.486 . . . . 0.0 110.268 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.604 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 15.0 ttp180 -54.63 -54.63 38.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.121 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.53 9.24 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.872 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -117.7 7.88 12.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.213 0.53 . . . . 0.0 109.786 173.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 12.93 83.35 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.847 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.21 -17.48 23.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.411 . . . . 0.0 110.572 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.604 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 24.2 tp -142.34 125.37 16.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.375 177.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.608 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.5 pt? -79.57 -18.64 51.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -133.32 168.71 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.603 0.24 . . . . 0.0 111.165 -174.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.17 95.46 15.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.63 0.729 . . . . 0.0 109.706 169.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.451 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 13.0 Cg_exo -69.76 -21.2 33.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.771 2.314 . . . . 0.0 112.62 -172.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.3 p -62.64 -37.37 86.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.712 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.26 -18.98 61.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.24 -6.68 19.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.95 96.71 10.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.401 0.619 . . . . 0.0 110.781 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 18.8 pttm . . . . . 0 C--N 1.316 -0.857 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.573 179.868 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.527 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 64.1 t -58.13 -49.01 83.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -34.49 76.1 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.67 -172.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -66.77 -43.06 85.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.884 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.467 ' HE3' HD22 ' A' ' 13' ' ' LEU . 21.8 t90 -65.68 -51.08 62.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.467 HD22 ' HE3' ' A' ' 12' ' ' TRP . 4.5 mm? -63.84 -45.58 88.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.421 HD21 ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -58.18 -36.91 73.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.059 -179.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -65.52 -46.52 79.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.619 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.7 t-105 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -177.713 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.752 0.311 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -74.11 -17.39 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.643 0.258 . . . . 0.0 111.213 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -79.07 -30.16 43.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 m -61.49 -59.5 5.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.308 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.534 HG23 ' HE2' ' A' ' 77' ' ' TYR . 29.1 m -61.41 -36.1 70.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.035 0.445 . . . . 0.0 110.859 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 41' ' ' VAL . 24.8 tp -65.3 -56.95 9.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.353 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.654 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -61.06 -38.98 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.656 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.93 -41.63 91.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.008 -172.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -92.24 -48.8 6.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 37' ' ' LEU . 14.8 p -100.49 -20.5 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.654 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.5 mp -69.91 -49.85 18.69 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.844 -0.535 . . . . 0.0 112.094 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 6.6 Cg_exo -75.55 -5.0 16.04 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.073 1.849 . . . . 0.0 112.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -107.09 -67.29 0.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.822 0.344 . . . . 0.0 111.69 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.68 3.18 34.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 0.0 110.799 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.527 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -65.28 -27.42 72.4 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.057 -178.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 m -95.74 23.93 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.039 0.447 . . . . 0.0 111.112 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 9' ' ' VAL . 68.3 mt -118.69 131.87 24.11 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.56 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.47 144.83 90.97 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.625 2.217 . . . . 0.0 112.099 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -83.29 -17.58 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.499 177.492 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -99.35 -16.67 18.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.84 HD13 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -59.83 121.02 10.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -109.0 146.6 34.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.731 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.03 -27.95 86.01 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.739 2.293 . . . . 0.0 111.75 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.94 -47.23 77.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.33 -29.53 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.299 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.84 HD11 HD13 ' A' ' 53' ' ' LEU . 59.8 mt -69.16 -47.53 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.382 . . . . 0.0 110.221 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.36 -37.61 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.215 0.531 . . . . 0.0 109.79 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -59.72 -45.48 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.737 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.63 -50.87 64.78 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.94 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.412 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 35.9 m-85 -61.07 -54.39 45.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.106 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.68 99.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.825 -173.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 67' ' ' GLU . 38.6 t -66.81 -44.98 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.677 -176.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -87.6 -21.44 25.35 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.136 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 65.6 tp -63.56 -31.95 73.27 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 167.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 64' ' ' SER . 30.0 tt0 -73.25 -35.66 66.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.723 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -66.07 -39.06 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.17 42.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.631 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.734 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 62.6 mt -99.13 156.22 17.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.087 0.443 . . . . 0.0 110.683 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -95.69 147.81 33.59 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.747 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.42 -36.55 88.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.849 2.366 . . . . 0.0 112.042 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.57 -37.22 84.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.645 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.8 tpt180 -73.82 -36.98 65.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.626 HG23 HD13 ' A' ' 66' ' ' LEU . 86.8 t -63.25 -41.88 94.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.718 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.534 ' HE2' HG23 ' A' ' 36' ' ' VAL . 85.7 t80 -59.85 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 74' ' ' ARG . 76.0 mt -59.33 -40.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.412 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 26.8 t-80 -62.84 -46.89 85.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.083 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.17 -34.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.42 -39.66 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 100' ' ' THR . 51.9 tp -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 177.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.592 ' CD2' ' HB2' ' A' ' 101' ' ' GLU . 53.2 t-80 -59.61 -48.31 82.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.408 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.74 -50.46 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.433 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 88' ' ' GLN . . . -68.01 -32.15 72.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.677 -173.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.488 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 54.3 ttm -78.07 -19.2 54.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.38 . . . . 0.0 110.725 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 74.4 m -61.02 -38.75 87.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.324 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 85' ' ' ALA . 12.8 pt20 -65.35 -25.67 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.034 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 94' ' ' LEU . . . -75.35 -37.41 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 61.1 ttp180 -65.37 -49.88 67.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.964 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 87' ' ' SER . 13.3 mm-40 -63.41 -29.82 71.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.958 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -65.65 -22.69 66.67 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.783 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.0 -15.69 51.25 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.683 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 89' ' ' ALA . 4.2 pp -74.91 -18.99 60.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 0.0 110.111 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.499 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 40.0 tp -130.14 132.74 46.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.614 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.644 HD21 ' H ' ' A' ' 96' ' ' LEU . 1.1 pt? -96.9 -28.63 14.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.731 0.3 . . . . 0.0 111.528 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.571 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 47.8 mt-30 -110.43 153.2 25.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.639 -175.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -110.23 94.62 18.85 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.503 ' HG2' HD12 ' A' ' 53' ' ' LEU . 7.2 Cg_exo -74.26 -18.79 20.42 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.183 2.589 . . . . 0.0 113.169 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 82' ' ' LEU . 78.8 p -63.81 -40.23 96.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 0.0 111.315 -176.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.592 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 10.8 tt0 -85.31 -24.59 27.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.437 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.3 63.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.616 0.722 . . . . 0.0 109.724 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.35 95.92 10.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.307 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 33.0 ttpt . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.561 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.686 0.279 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.493 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 46.9 t -70.45 -51.55 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.329 -175.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -20.97 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 111.563 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.848 HE21 ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -68.78 -54.41 16.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.969 -179.004 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 65.1 p-90 -76.55 -22.64 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.411 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -45.75 91.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.206 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.48 -48.24 82.39 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -66.13 -38.81 89.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -177.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.982 0.42 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.572 ' HA ' HG23 ' A' ' 36' ' ' VAL . 22.7 p90 -68.16 -15.13 63.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -64.61 -42.59 95.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 110.146 174.251 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 m -75.91 -48.61 20.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.915 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.572 HG23 ' HA ' ' A' ' 33' ' ' TYR . 18.9 m -56.38 -37.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.419 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.565 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.0 tp -61.89 -66.3 0.56 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.52 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.623 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 29.6 ptt85 -62.83 -30.63 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.631 -175.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.95 -34.96 78.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.542 0.21 . . . . 0.0 111.558 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -99.53 -41.25 7.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -174.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 37' ' ' LEU . 12.8 p -100.42 -25.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -171.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.623 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -66.07 -43.27 56.04 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.762 -0.586 . . . . 0.0 112.255 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 16.5 Cg_exo -70.61 -13.84 32.89 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 112.688 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.428 ' HB ' HD22 ' A' ' 45' ' ' LEU . 16.8 p -107.39 -68.2 0.91 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.428 HD22 ' HB ' ' A' ' 44' ' ' THR . 2.6 mm? -103.39 -7.16 21.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.797 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -65.73 -21.4 69.17 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 113.433 -175.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -98.3 9.02 44.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 110.027 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.6 mt -106.28 129.39 24.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.231 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.493 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 9.8 Cg_endo -54.13 137.01 69.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 123.13 2.553 . . . . 0.0 112.715 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.23 -26.88 61.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.456 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -77.65 -17.85 57.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.3 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 62.6 tttp -115.7 -3.06 12.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 0.0 110.404 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.86 HD12 HD11 ' A' ' 58' ' ' ILE . 3.2 tm? -65.43 119.9 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.803 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -106.68 138.79 19.87 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.083 -177.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.94 -30.51 91.91 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.069 2.513 . . . . 0.0 112.482 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.14 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.78 -25.67 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.157 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.86 HD11 HD12 ' A' ' 53' ' ' LEU . 73.2 mt -69.34 -47.99 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.166 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -65.46 -37.37 86.68 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -55.5 -45.49 77.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.556 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.79 -48.68 74.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.583 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 31.1 m-85 -62.91 -45.32 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.722 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.86 87.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.057 0.456 . . . . 0.0 111.086 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -65.82 -35.58 81.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.047 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.97 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.785 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.65 -20.91 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.165 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.6 t -76.22 -42.54 45.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.382 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.86 43.84 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.03 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 mt -99.14 139.84 34.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.36 . . . . 0.0 110.508 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -83.65 146.12 49.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.41 -39.87 16.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.608 2.872 . . . . 0.0 113.457 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -64.69 -44.31 90.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.076 0.465 . . . . 0.0 111.133 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -66.24 -38.79 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.282 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.38 -43.32 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.809 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.29 -23.59 64.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.61 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.42 ' HA ' HG13 ' A' ' 80' ' ' VAL . 35.7 t80 -70.97 -46.89 61.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.4 ' HA ' HG12 ' A' ' 81' ' ' VAL . 43.7 mm -59.36 -34.44 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.515 0.674 . . . . 0.0 110.33 174.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.583 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.7 t-80 -67.81 -42.27 81.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.071 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' A' ' 77' ' ' TYR . 7.7 p -79.73 -29.47 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.537 -174.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 33' ' ' TYR . 11.1 p -73.08 -39.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.465 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' A' ' 100' ' ' THR . 31.8 tp -70.61 -31.61 68.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.297 0.57 . . . . 0.0 109.515 176.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.707 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -66.32 -51.57 55.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.91 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.78 69.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.116 -175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.431 ' HE2' HD11 ' A' ' 82' ' ' LEU . 61.3 mtt -74.55 -17.35 60.75 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -69.44 -35.56 75.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 109.969 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.26 -40.23 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.37 85.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 53.7 ttp85 -59.13 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.808 176.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.24 -2.56 45.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.995 0.426 . . . . 0.0 111.189 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.4 t -95.09 -3.94 47.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.097 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.03 20.4 65.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -94.17 -27.45 16.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.11 0.481 . . . . 0.0 110.103 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 20.8 tp -142.87 139.98 31.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.455 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.74 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.9 pt? -92.38 -14.94 27.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -174.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.544 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.6 mt-30 -133.69 178.07 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -120.6 96.29 48.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.773 0.797 . . . . 0.0 110.548 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.31 -19.64 19.45 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.831 2.354 . . . . 0.0 112.885 -174.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.608 HG21 ' HG ' ' A' ' 82' ' ' LEU . 5.0 p -71.28 -33.65 69.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.973 0.416 . . . . 0.0 111.399 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -82.98 -26.08 31.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -20.37 59.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.244 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.05 92.61 9.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.637 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.765 -178.589 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.626 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 81.2 t -60.2 -38.79 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.673 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.505 ' HB3' HG22 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -74.42 -30.34 61.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.807 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.2 -47.76 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -61.57 -44.64 96.65 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.669 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -59.49 -47.25 86.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.529 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.84 -44.0 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.1 0.476 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -62.99 -46.56 87.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.102 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' HZ2' ' HB3' ' A' ' 88' ' ' GLN . 64.9 t-105 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.686 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.234 0.285 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.455 ' HB2' HG21 ' A' ' 81' ' ' VAL . 4.6 p90 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 tp10 -65.28 -44.81 86.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -66.42 -53.34 36.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.604 -176.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -61.65 -38.11 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 120.715 0.293 . . . . 0.0 111.652 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.502 ' O ' HG13 ' A' ' 41' ' ' VAL . 22.5 tp -61.22 -63.95 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 -177.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.676 ' HB3' HD12 ' A' ' 42' ' ' ILE . 11.3 ptp180 -63.41 -38.53 91.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.816 -176.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.63 -37.95 80.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -100.6 -51.65 3.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 37' ' ' LEU . 8.7 p -101.17 -17.85 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.676 HD12 ' HB3' ' A' ' 38' ' ' ARG . 2.1 mt -71.36 -48.19 12.93 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -174.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.644 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 4.1 Cg_exo -77.47 -6.68 16.48 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.742 1.628 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.475 HG22 ' HE3' ' A' ' 65' ' ' LYS . 20.6 p -100.93 -67.23 0.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.527 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.1 mt -93.45 3.21 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 0.0 111.011 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.626 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -69.2 -12.44 65.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.417 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -95.76 2.0 53.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.863 0.363 . . . . 0.0 110.516 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.3 mt -105.33 119.1 54.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.193 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.56 139.42 75.63 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.671 2.247 . . . . 0.0 112.074 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' HB3' HD23 ' A' ' 95' ' ' LEU . 86.6 mt -57.66 -33.77 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.009 -175.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.69 -1.91 52.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -107.77 -33.26 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.58 118.23 2.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.272 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -109.28 161.68 22.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.511 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.07 -31.86 91.49 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.738 2.292 . . . . 0.0 112.131 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.12 96.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.204 0.526 . . . . 0.0 110.099 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.441 HG22 ' CE2' ' A' ' 62' ' ' TYR . 52.4 mt -67.91 -43.52 85.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.004 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.363 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -57.82 -42.38 84.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.441 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD21 ' HD3' ' A' ' 65' ' ' LYS . 2.9 tm? -57.07 -54.93 41.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.967 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.496 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 21.7 m-85 -58.89 -46.6 87.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.27 -50.7 71.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.441 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.7 t -65.57 -38.71 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' HE3' HG22 ' A' ' 44' ' ' THR . 3.7 mptp? -78.12 -36.69 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.44 -177.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.711 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 62.1 tp -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.75 -30.87 69.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.057 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 t -76.8 -10.03 59.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.65 51.66 0.41 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.115 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.711 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 29.3 mt -98.65 152.29 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.603 0.24 . . . . 0.0 110.379 174.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.426 ' HB3' ' HD3' ' A' ' 74' ' ' ARG . 9.3 t -90.32 136.2 28.79 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.63 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 76.7 Cg_exo -51.3 -33.45 45.56 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.089 2.526 . . . . 0.0 112.832 -176.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -60.42 -44.8 95.4 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.365 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.59 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.1 mpt_? -71.36 -39.57 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.221 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.564 HG21 HD11 ' A' ' 66' ' ' LEU . 52.4 t -56.12 -39.78 60.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 123.36 0.413 . . . . 0.0 110.381 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 68.5 mtt-85 -63.29 -45.54 90.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.515 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.94 -35.27 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.016 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 74' ' ' ARG . 73.0 mt -61.72 -34.7 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.883 0.373 . . . . 0.0 110.189 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.496 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 62.9 t-80 -67.21 -40.43 86.43 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 76' ' ' ARG . 84.5 t -64.32 -51.81 63.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 78' ' ' ILE . 10.2 p -65.81 -37.13 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.154 -177.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.24 -42.27 93.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' O ' ' HB3' ' A' ' 87' ' ' SER . 12.3 t-80 -64.68 -42.82 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.002 176.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.06 -52.65 64.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.389 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 -44.05 63.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.5 tpp -80.45 -13.19 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.56 ' HA ' ' OD1' ' A' ' 98' ' ' ASN . 79.8 p -63.66 -35.08 79.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.022 0.439 . . . . 0.0 110.34 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.486 ' HB3' ' HZ2' ' A' ' 16' ' ' TRP . 15.1 mm100 -62.98 -29.98 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' A' ' 94' ' ' LEU . . . -63.97 -42.86 97.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.282 0.563 . . . . 0.0 110.275 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 97' ' ' GLN . 16.0 ttp180 -68.96 -45.68 70.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.587 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -73.3 -12.49 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.61 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.3 t -85.36 -34.4 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.74 25.73 6.74 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.751 -0.738 . . . . 0.0 113.195 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.688 HD13 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -106.19 -16.6 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.052 0.454 . . . . 0.0 110.17 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -118.53 132.69 56.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.562 176.595 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.41 -51.13 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.483 0.489 . . . . 0.0 110.68 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 11.4 pt20 -147.86 176.0 10.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.399 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.56 ' OD1' ' HA ' ' A' ' 87' ' ' SER . 3.6 m120 -102.0 110.87 63.4 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -63.07 -10.77 21.9 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.024 2.483 . . . . 0.0 112.595 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 p -66.83 -27.44 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.21 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 98' ' ' ASN . 2.4 mm-40 -75.74 -24.79 56.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.305 0.574 . . . . 0.0 110.312 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.437 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . . . -103.12 5.35 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.645 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.03 101.76 12.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.109 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -176.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.0 p . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.638 0.256 . . . . 0.0 111.652 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.875 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 57.2 t -51.76 -52.0 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.335 -173.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.11 -28.5 69.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.632 0.253 . . . . 0.0 111.316 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -75.39 -49.92 17.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.754 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 53.3 p-90 -73.29 -31.8 64.25 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -68.43 -34.94 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.136 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.11 -41.91 93.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.533 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.48 -36.93 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.944 179.137 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -78.11 -20.78 51.51 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 6.9 tp10 -60.78 -60.97 2.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.977 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -53.7 -62.1 1.87 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.102 -174.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.1 m -56.27 -43.38 76.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 41' ' ' VAL . 25.0 tp -64.42 -62.37 1.64 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.668 -175.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.575 ' HA ' HD11 ' A' ' 42' ' ' ILE . 12.9 ptm85 -64.82 -37.8 88.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.26 -37.87 81.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.626 0.25 . . . . 0.0 111.577 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -97.54 -55.46 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 37' ' ' LEU . 7.4 p -87.27 -27.66 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.575 HD11 ' HA ' ' A' ' 38' ' ' ARG . 1.3 mp -66.61 -47.43 56.79 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 74.3 Cg_endo -73.49 -15.67 24.67 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 121.534 1.489 . . . . 0.0 113.148 -177.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.773 HG21 ' HG ' ' A' ' 45' ' ' LEU . 14.7 t -107.42 -42.12 4.89 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.773 ' HG ' HG21 ' A' ' 44' ' ' THR . 85.1 mt -121.95 -9.68 8.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.402 -175.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.875 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -67.69 -13.87 64.18 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.522 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -98.41 5.78 47.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.82 0.343 . . . . 0.0 110.458 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -110.4 133.18 21.18 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.07 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.23 142.99 86.81 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.822 2.348 . . . . 0.0 112.653 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.34 -27.62 67.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.022 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -79.35 1.16 26.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.51 . . . . 0.0 110.636 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -118.73 7.83 11.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.736 HD12 HD13 ' A' ' 58' ' ' ILE . 2.7 tm? -81.5 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.722 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -112.74 149.62 41.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.649 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 13.4 Cg_endo -57.53 -34.76 98.55 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.893 2.395 . . . . 0.0 112.447 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.75 70.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.07 -38.51 61.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.846 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.736 HD13 HD12 ' A' ' 53' ' ' LEU . 60.9 mt -66.19 -36.7 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.077 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.08 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.818 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -62.88 -41.93 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.563 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -49.15 -60.93 2.37 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.61 0.569 . . . . 0.0 109.598 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.85 -50.38 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.222 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.77 77.52 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -64.5 -36.12 83.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.201 -174.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -86.92 -20.95 26.62 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.848 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.03 -27.44 68.11 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.149 176.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.06 -31.57 52.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.274 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -79.75 -21.65 44.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.07 56.43 0.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.581 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.1 mt -77.8 130.78 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.607 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 7.3 m -68.29 138.77 91.93 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 172.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.94 -27.87 75.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.774 2.316 . . . . 0.0 111.833 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 p -63.21 -41.76 99.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.982 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.607 ' HG3' ' HB2' ' A' ' 71' ' ' SER . 33.6 mtt180 -66.01 -49.61 67.16 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.49 -44.3 84.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.776 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.47 ' O ' HG21 ' A' ' 80' ' ' VAL . 21.4 ttt180 -61.09 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.682 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -64.0 -45.31 89.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.168 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 74' ' ' ARG . 63.1 mt -60.59 -39.33 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.309 0.576 . . . . 0.0 109.972 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -65.5 -37.5 86.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.934 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 76' ' ' ARG . 96.8 t -73.49 -49.7 34.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.353 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.92 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.7 0.286 . . . . 0.0 111.016 -176.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.12 -37.7 81.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -54.07 -48.68 70.38 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.17 -54.58 42.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.471 0.482 . . . . 0.0 110.926 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.21 99.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.48 -28.69 68.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.525 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -64.87 -36.81 85.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.593 0.235 . . . . 0.0 110.742 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.5 -36.02 78.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.795 ' HB3' HD11 ' A' ' 94' ' ' LEU . . . -69.11 -40.38 78.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.388 0.613 . . . . 0.0 110.066 173.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 13.1 ttt-85 -57.54 -48.65 78.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.832 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.87 -8.79 57.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.332 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -84.12 -9.87 58.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.23 7.36 83.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.882 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 89' ' ' ALA . 4.7 pp -95.66 -13.48 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 15.7 tp -124.33 145.23 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.962 -177.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.36 -49.33 64.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.279 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.554 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 3.6 pt20 -152.76 -171.01 3.8 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.078 -174.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -100.32 98.84 8.43 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.987 0.422 . . . . 0.0 109.909 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 16.7 Cg_exo -67.93 -15.9 44.46 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.975 2.45 . . . . 0.0 111.842 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.4 m -61.92 -47.22 85.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.107 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.36 -20.2 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.83 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.06 -24.36 60.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.388 0.613 . . . . 0.0 109.481 173.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.56 104.41 16.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.006 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm . . . . . 0 C--N 1.32 -0.71 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.353 -178.624 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.235 0.325 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.81 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 94.6 t -68.04 -45.58 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.061 0.458 . . . . 0.0 110.133 175.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HB3' HG23 ' A' ' 42' ' ' ILE . 6.5 pt-20 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.008 -174.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -72.56 -41.64 65.53 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.244 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.713 ' HE3' HD21 ' A' ' 13' ' ' LEU . 66.7 t90 -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.028 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.713 HD21 ' HE3' ' A' ' 12' ' ' TRP . 4.2 mm? -62.35 -30.64 71.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.912 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -61.82 -53.06 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.295 0.569 . . . . 0.0 110.396 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.17 -29.42 66.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.682 ' HE1' ' HG2' ' A' ' 88' ' ' GLN . 87.0 t90 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.364 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.813 0.339 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -61.44 -41.32 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.097 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.6 mt-10 -62.54 -53.65 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.6 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m -54.8 -61.94 1.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.101 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -60.1 -40.55 83.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.3 tp -68.45 -61.27 1.91 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.649 ' HB2' HD12 ' A' ' 42' ' ' ILE . 5.1 ptp180 -61.86 -36.93 82.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.744 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.07 -44.2 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.682 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -91.51 -43.25 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.7 p -98.55 -27.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -169.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.649 HD12 ' HB2' ' A' ' 38' ' ' ARG . 13.4 mt -65.87 -48.93 60.96 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.697 -0.627 . . . . 0.0 112.624 -175.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.8 Cg_endo -71.93 -14.71 29.49 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.585 1.523 . . . . 0.0 112.807 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.6 p -97.74 -64.57 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 111.562 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -115.29 -2.51 12.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.0 -175.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.81 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.44 -20.1 76.7 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.557 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -79.39 -7.42 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.285 0.564 . . . . 0.0 110.727 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.0 mt -98.7 133.04 22.84 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.613 ' HG2' ' CB ' ' A' ' 52' ' ' LYS . 10.2 Cg_endo -54.34 144.66 59.84 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.65 2.234 . . . . 0.0 112.114 174.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD23 HG21 ' A' ' 9' ' ' VAL . 84.7 mt -56.31 -40.54 74.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.576 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -71.94 -21.46 61.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 111.091 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.613 ' CB ' ' HG2' ' A' ' 49' ' ' PRO . 85.6 tttt -90.71 -17.36 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.239 -178.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.93 128.63 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.432 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 10.3 mt-30 -110.46 149.13 39.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.897 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.83 -23.99 78.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.591 2.194 . . . . 0.0 111.683 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.42 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.566 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 5.3 m-20 -70.64 -38.65 73.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.053 178.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.491 HD12 ' HB2' ' A' ' 99' ' ' PRO . 58.0 mt -67.02 -39.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.326 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -51.12 69.72 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 173.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -54.65 -47.39 73.58 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.822 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 2.5 tm? -58.02 -40.54 81.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.35 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.648 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 16.0 m-30 -65.02 -46.83 79.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.771 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.08 96.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.168 0.509 . . . . 0.0 110.753 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.44 67.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.615 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.648 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 52.1 mtmt -75.99 -45.24 35.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 175.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.97 -33.71 76.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.912 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.87 -32.25 70.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.077 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.4 t -79.57 -14.03 59.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.583 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.49 31.12 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.4 mt -83.63 134.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.72 0.295 . . . . 0.0 110.755 177.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.419 ' O ' HG21 ' A' ' 75' ' ' VAL . 15.8 m -62.42 135.89 95.56 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.653 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 51.3 Cg_exo -54.07 -30.79 61.61 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.168 2.579 . . . . 0.0 112.888 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -61.9 -50.2 73.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 0.0 111.106 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -69.64 -28.42 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 71' ' ' SER . 87.4 t -60.7 -38.79 79.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.296 174.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.653 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 25.2 mtt180 -71.49 -33.23 69.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.22 -47.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.074 0.464 . . . . 0.0 110.203 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' HA ' HG12 ' A' ' 81' ' ' VAL . 75.4 mt -61.62 -29.25 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.819 176.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' ARG . 10.7 t-80 -64.95 -52.04 58.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.761 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.24 -36.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.8 p -65.45 -38.13 81.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.523 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -70.95 -41.16 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -58.21 -46.76 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.325 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.9 -18.05 51.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.511 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.94 -33.26 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.202 0.525 . . . . 0.0 110.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mtp -84.44 -6.39 59.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.585 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 73.7 m -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.682 ' HG2' ' HE1' ' A' ' 16' ' ' TRP . 26.0 mp0 -62.82 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.629 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -64.05 -36.16 83.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -71.31 -45.32 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.305 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 87' ' ' SER . 66.5 mm-40 -59.88 -40.04 87.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -68.97 -18.49 64.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 23.52 65.26 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.734 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.629 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -95.11 -7.46 39.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.138 0.494 . . . . 0.0 110.434 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' ' H ' ' A' ' 96' ' ' LEU . 15.2 tp -113.28 -131.87 0.32 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.2 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.506 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 63.5 tp -164.06 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.278 0.561 . . . . 0.0 110.391 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -134.5 -172.29 2.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.896 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.535 ' OD1' ' HG2' ' A' ' 101' ' ' GLU . 19.2 t-20 -112.89 98.15 44.24 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.491 ' HB2' HD12 ' A' ' 58' ' ' ILE . 6.5 Cg_exo -72.25 -13.67 28.3 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.892 -169.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 p -74.99 -32.75 61.75 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.364 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.535 ' HG2' ' OD1' ' A' ' 98' ' ' ASN . 5.7 mm-40 -85.51 -18.49 33.34 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.911 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.0 -12.85 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.49 152.8 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.657 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.636 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.256 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.65 HG22 ' H ' ' A' ' 9' ' ' VAL . 4.3 m . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.664 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.9 t -56.36 -53.91 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.652 0.263 . . . . 0.0 111.461 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.643 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -67.19 -23.12 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.541 -177.216 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -53.59 49.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -71.5 -36.92 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 109.982 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.5 -45.35 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.924 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.1 t90 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.186 176.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.535 ' O ' HG22 ' A' ' 36' ' ' VAL . 43.3 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.623 0.249 . . . . 0.0 110.765 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CD2' HG22 ' A' ' 81' ' ' VAL . 33.3 m-85 -52.4 -38.63 59.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.7 -50.85 55.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.454 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 m -68.26 -52.01 38.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.408 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 32' ' ' SER . 34.7 m -67.0 -33.56 64.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.563 ' O ' HG21 ' A' ' 41' ' ' VAL . 21.0 tp -65.14 -62.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -178.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.571 ' HG3' ' N ' ' A' ' 39' ' ' LEU . 8.4 ptp180 -53.86 -45.95 71.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.115 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.571 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 31.7 tp -64.89 -39.3 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.98 -171.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -100.59 -40.77 7.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -171.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.563 HG21 ' O ' ' A' ' 37' ' ' LEU . 2.8 m -90.83 -32.61 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -169.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.562 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 42.0 mt -67.25 -47.99 48.53 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -173.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 14.7 Cg_endo -57.07 -42.37 64.62 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.22 1.946 . . . . 0.0 113.931 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 t -105.38 -46.41 4.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' HG ' HD13 ' A' ' 61' ' ' LEU . 1.2 tm? -84.61 -31.27 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.204 0.526 . . . . 0.0 109.905 -174.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.664 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -74.62 14.59 4.24 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.077 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.1 m -108.32 -0.81 20.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.459 . . . . 0.0 110.228 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.6 mt -113.15 125.38 29.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.211 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 52.4 Cg_exo -55.78 145.3 72.77 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.005 2.47 . . . . 0.0 112.562 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.14 -29.68 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -85.43 5.78 29.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -131.48 8.91 4.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.463 0.649 . . . . 0.0 109.971 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -82.2 122.44 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.582 -175.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -124.95 161.74 47.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.724 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.42 -29.39 58.65 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.94 2.427 . . . . 0.0 113.002 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.71 80.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' HB3' ' A' ' 60' ' ' ARG . 21.3 m-20 -69.64 -36.48 76.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.46 -34.69 63.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.3 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -41.32 93.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 18.7 ttt85 -59.93 -39.79 86.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.79 177.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.513 HD11 HG11 ' A' ' 41' ' ' VAL . 3.2 tt -53.93 -60.53 3.21 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 23.5 m-85 -61.9 -44.44 96.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.333 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 t -63.67 -39.69 94.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 57.4 mmtt -88.7 -25.43 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.05 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.03 -18.23 63.11 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -7.05 55.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.171 0.51 . . . . 0.0 110.461 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.18 62.67 0.7 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.774 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.6 mt -99.35 139.33 35.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.02 0.438 . . . . 0.0 111.369 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.4 m -74.51 156.97 86.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.923 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.04 -46.01 36.48 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.598 2.199 . . . . 0.0 112.033 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.404 ' HA ' ' HB3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -68.36 -28.82 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.463 179.345 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.575 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.4 mmt85 -65.29 -50.9 63.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.49 -40.85 85.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 109.952 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 80' ' ' VAL . 44.0 ttt180 -56.19 -48.49 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.217 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.58 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 74' ' ' ARG . 61.7 mt -63.8 -35.43 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.029 176.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.479 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.2 t-80 -64.2 -38.33 90.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.093 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 76' ' ' ARG . 93.6 t -71.96 -50.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.385 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' A' ' 78' ' ' ILE . 11.0 p -62.73 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.184 -177.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.4 tp -68.51 -42.19 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.371 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -59.93 -38.01 81.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.542 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -70.1 -55.98 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.547 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.32 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.936 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.0 ttm -68.74 -27.97 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.352 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 93.3 p -69.32 -27.25 65.21 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.786 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.29 -30.98 72.01 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.87 0.367 . . . . 0.0 110.202 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.688 ' HB3' HD12 ' A' ' 94' ' ' LEU . . . -67.38 -37.99 84.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 110.033 176.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 69.9 ttt180 -66.85 -45.64 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 87' ' ' SER . 47.6 mt-10 -64.14 -29.36 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.784 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -68.59 -25.7 65.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.93 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.62 -0.65 55.49 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.909 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.688 HD12 ' HB3' ' A' ' 89' ' ' ALA . 4.1 pp -87.77 -11.66 47.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.365 0.602 . . . . 0.0 109.789 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 39.4 tp -136.53 132.78 35.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.728 HD21 ' H ' ' A' ' 96' ' ' LEU . 2.4 pt? -99.46 -18.35 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.904 0.383 . . . . 0.0 111.477 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -116.79 160.44 20.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -120.35 94.84 48.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.95 -9.82 11.76 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.531 2.154 . . . . 0.0 112.635 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 m -70.64 -27.75 64.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.692 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.57 -26.84 60.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.72 2.93 43.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.792 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.48 107.65 18.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.655 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.0 pttt . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.159 -175.756 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.48 122.47 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -67.85 116.52 39.09 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.23 143.84 60.39 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.341 2.694 . . . . 0.0 112.719 -176.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p 50.89 91.35 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.089 0.868 . . . . 0.0 112.139 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -99.68 -39.03 8.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.821 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 tt -113.1 106.24 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.668 0.747 . . . . 0.0 110.786 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 45.7 p -123.58 177.0 5.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.282 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.809 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 86.1 t -59.21 -47.12 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.245 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -26.39 65.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.628 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.57 -42.18 95.8 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 121.074 0.464 . . . . 0.0 109.914 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.453 ' HH2' ' HB2' ' A' ' 88' ' ' GLN . 63.3 t90 -72.76 -42.81 63.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.059 177.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 9' ' ' VAL . 79.0 mt -56.77 -52.82 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -63.88 -33.37 75.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.747 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.34 -41.78 47.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.973 0.416 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -60.83 -42.64 98.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.127 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.06 -45.86 93.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.851 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.0 m -56.58 -32.79 65.56 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.05 0.452 . . . . 0.0 111.353 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.24 -55.75 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.956 0.408 . . . . 0.0 111.668 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -87.95 5.57 40.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -168.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.07 -1.97 53.58 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.469 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -68.3 145.24 97.31 Favored Pre-proline 0 C--O 1.236 0.345 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 117' ' ' HIS . 6.5 Cg_endo -48.32 119.75 4.37 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.892 3.061 . . . . 0.0 113.684 -174.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -132.99 160.05 38.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.719 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -107.65 92.93 4.28 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.947 0.403 . . . . 0.0 111.456 -173.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.1 ttm-85 -172.09 100.17 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.434 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 65.71 112.06 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 124.219 0.95 . . . . 0.0 112.902 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -76.09 85.08 2.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.269 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.657 ' HB ' ' O ' ' A' ' 115' ' ' HIS . 7.0 m -98.3 161.69 13.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.702 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -77.36 -177.72 4.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.258 0.551 . . . . 0.0 111.169 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.67 6.67 44.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.608 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m -56.75 -37.85 71.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.928 -173.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.89 -32.16 73.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.886 0.374 . . . . 0.0 110.479 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 18.5 tt0 -77.07 -50.86 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.185 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.2 m -53.98 -55.88 23.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.136 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.28 -37.36 77.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.907 0.384 . . . . 0.0 111.021 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.57 ' O ' HG13 ' A' ' 41' ' ' VAL . 28.4 tp -65.2 -65.35 0.68 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.436 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 46.5 ptt85 -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.419 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.96 -37.59 82.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.321 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -97.13 -49.05 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 37' ' ' LEU . 7.8 p -86.56 -28.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -169.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.528 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 26.2 mt -64.77 -53.07 46.31 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.954 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 10.9 Cg_exo -71.58 -3.9 13.97 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.916 1.744 . . . . 0.0 112.93 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.1 p -108.07 -67.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.989 0.423 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.439 HD13 HD23 ' A' ' 53' ' ' LEU . 60.8 mt -110.6 -7.79 14.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -174.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.809 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.06 -29.57 74.79 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 113.177 -175.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -86.24 15.68 5.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.186 0.517 . . . . 0.0 111.239 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.631 ' O ' HG21 ' A' ' 9' ' ' VAL . 66.5 mt -115.89 139.1 24.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.592 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 25.3 Cg_endo -64.35 144.2 85.15 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.007 1.805 . . . . 0.0 111.971 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.494 ' HB3' HD13 ' A' ' 95' ' ' LEU . 52.1 mt -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.1 -4.25 49.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.788 0.328 . . . . 0.0 111.782 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.592 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 61.3 tttp -116.42 -12.57 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.455 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.499 HD12 HG13 ' A' ' 58' ' ' ILE . 3.2 tm? -68.12 119.12 12.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.98 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.62 146.9 38.26 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.931 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.43 -26.95 80.06 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.703 2.269 . . . . 0.0 111.67 174.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.28 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.734 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.38 -39.29 85.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.499 HG13 HD12 ' A' ' 53' ' ' LEU . 69.4 mt -65.46 -43.27 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -62.23 -44.54 96.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -61.7 -36.77 81.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.998 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.38 -48.35 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.44 ' CE1' ' HA ' ' A' ' 79' ' ' HIS . 23.4 m-85 -61.41 -44.91 96.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.227 0.537 . . . . 0.0 110.949 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 67' ' ' GLU . . . -71.28 -49.68 40.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.017 -175.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -67.32 -34.82 78.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.416 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.898 ' HB3' HD13 ' A' ' 70' ' ' LEU . 29.9 mmtm -77.65 -23.1 49.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.281 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.78 -42.99 90.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 63' ' ' ALA . 7.0 mm-40 -63.96 -25.46 68.15 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.489 175.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -78.71 -8.27 58.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.423 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.06 22.83 7.69 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.63 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.898 HD13 ' HB3' ' A' ' 65' ' ' LYS . 42.2 mt -85.85 142.6 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.032 0.416 . . . . 0.0 110.182 175.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.4 m -71.99 138.4 82.21 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.112 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -37.95 82.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.253 2.635 . . . . 0.0 112.841 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.1 m -69.21 -37.85 78.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.208 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.484 ' O ' HG13 ' A' ' 78' ' ' ILE . 12.0 ttp85 -76.81 -33.61 57.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.45 -37.04 78.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.502 0.668 . . . . 0.0 109.241 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -61.45 -37.75 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.497 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -67.62 -44.57 77.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.646 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 74' ' ' ARG . 80.4 mt -57.81 -36.86 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 110.379 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 62' ' ' TYR . 2.5 t60 -54.04 -51.45 63.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.868 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.657 HG12 ' HD2' ' A' ' 108' ' ' HIS . 30.0 m -79.63 -36.66 17.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' ' 78' ' ' ILE . 14.0 p -66.18 -37.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.191 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.16 -42.05 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.959 0.409 . . . . 0.0 109.928 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.459 ' HD2' ' OG1' ' A' ' 100' ' ' THR . 37.7 t-80 -57.71 -59.66 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.313 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.43 -18.12 58.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -171.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.82 56.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.615 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 49.4 ttm -69.06 -28.57 66.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.704 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 49.3 m -63.29 -22.36 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.127 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.453 ' HB2' ' HH2' ' A' ' 12' ' ' TRP . 14.8 mm100 -70.57 -28.48 64.92 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.739 ' HB3' HD12 ' A' ' 94' ' ' LEU . . . -75.84 -34.23 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.507 0.67 . . . . 0.0 109.736 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.191 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.55 -3.82 45.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.146 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -91.5 -7.29 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.053 0.454 . . . . 0.0 109.828 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.79 7.88 88.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.104 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.739 HD12 ' HB3' ' A' ' 89' ' ' ALA . 4.5 pp -100.22 -10.68 21.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 110.242 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' ' 50' ' ' LEU . 47.6 tp -123.48 129.15 50.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.193 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.757 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.2 pt? -79.23 -36.58 39.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -150.46 147.62 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -78.85 114.35 43.22 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.615 ' HD2' ' SD ' ' A' ' 86' ' ' MET . 24.3 Cg_exo -63.94 -16.52 55.34 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.796 2.33 . . . . 0.0 111.847 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.459 ' OG1' ' HD2' ' A' ' 83' ' ' HIS . 34.4 p -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.5 -19.32 49.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.894 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.2 -0.13 30.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.723 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.565 ' O ' ' HD3' ' A' ' 105' ' ' PRO . . . -88.5 174.58 8.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.55 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.456 ' HZ3' ' HB3' ' A' ' 104' ' ' LYS . 8.1 mtpm? -112.36 81.79 4.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.888 0.375 . . . . 0.0 110.221 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.565 ' HD3' ' O ' ' A' ' 103' ' ' ALA . 84.7 Cg_endo -100.86 163.78 0.4 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.53 2.82 . . . . 0.0 113.15 -176.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.21 141.82 96.87 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.514 2.142 . . . . 0.0 111.528 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -78.71 116.79 19.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.657 ' HD2' HG12 ' A' ' 80' ' ' VAL . 81.9 t60 -166.69 123.93 0.99 Allowed Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.709 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.43 165.68 26.24 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.675 2.25 . . . . 0.0 111.835 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.44 HD21 ' H ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -87.03 130.66 34.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.668 -175.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -78.49 -10.37 59.69 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.238 0.542 . . . . 0.0 109.771 169.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 51.6 m80 74.71 174.78 0.25 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.232 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -68.77 95.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.826 -167.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -90.35 102.85 15.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 166.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.657 ' O ' ' HB ' ' A' ' 29' ' ' THR . 11.5 t-160 -87.59 -106.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -166.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 115' ' ' HIS . 53.5 t-80 164.64 163.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -164.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.448 ' O ' ' HA ' ' A' ' 23' ' ' PRO . 44.5 m170 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.735 171.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 121.029 0.442 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.6 mt -108.21 107.58 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 121.962 -0.462 . . . . 0.0 111.253 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 18.7 tp10 -91.39 113.8 59.65 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 7.5 Cg_exo -72.48 66.13 3.7 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.27 2.646 . . . . 0.0 113.167 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -171.4 142.05 1.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -104.43 -4.03 23.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.192 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.6 pt 43.57 102.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.919 1.288 . . . . 0.0 114.317 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 p -78.29 -176.36 4.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.402 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 48' ' ' ILE . 59.8 t -50.01 -48.87 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.876 0.369 . . . . 0.0 111.602 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -59.0 -42.9 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.477 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -77.05 -36.45 55.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -63.71 -51.16 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' O ' HD11 ' A' ' 17' ' ' LEU . 96.0 mt -55.01 -49.89 70.4 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.932 0.396 . . . . 0.0 110.497 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -56.59 -49.04 76.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.603 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -70.16 -49.79 46.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.772 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -58.46 -47.17 84.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.11 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 13' ' ' LEU . 6.8 mp -57.59 -47.32 82.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.958 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 m -74.84 -28.56 60.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.365 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -81.47 -44.26 17.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -89.89 -2.49 58.2 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.01 -73.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.908 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 66.3 mttp 59.86 92.66 0.06 OUTLIER Pre-proline 0 C--O 1.233 0.222 0 O-C-N 123.774 0.672 . . . . 0.0 111.283 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 15.9 Cg_endo -57.12 122.47 11.88 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 123.397 2.731 . . . . 0.0 112.472 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -146.47 -60.64 0.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.308 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.71 164.6 18.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.117 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -74.79 171.53 13.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.932 0.396 . . . . 0.0 111.367 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -52.48 126.76 20.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -171.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -148.02 36.82 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.769 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -96.71 145.43 25.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.399 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.426 ' HB3' ' HE1' ' A' ' 33' ' ' TYR . 7.0 t90 -103.68 -35.72 8.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 174.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 70.71 -10.02 0.76 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.725 169.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' HG22 ' A' ' 36' ' ' VAL . 37.1 p -64.76 -40.48 95.36 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 122.337 -0.227 . . . . 0.0 110.784 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.474 ' HA ' HG21 ' A' ' 81' ' ' VAL . 21.5 m-85 -48.33 -53.38 17.63 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 124.05 0.844 . . . . 0.0 110.393 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 24.7 tt0 -67.31 -49.62 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.958 -176.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.1 m -52.46 -55.39 22.23 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.041 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 32' ' ' SER . 26.9 m -64.73 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.595 ' O ' HG11 ' A' ' 41' ' ' VAL . 76.8 mt -69.33 -64.27 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.546 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 45.6 ptt85 -56.98 -40.79 77.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.8 -175.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.75 -50.11 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.932 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -101.37 -39.81 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -171.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.595 HG11 ' O ' ' A' ' 37' ' ' LEU . 4.0 p -93.68 -22.32 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.056 -171.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -71.67 -44.46 12.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 52.2 Cg_exo -55.88 -34.08 90.55 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.884 1.723 . . . . 0.0 113.658 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.415 HG23 HD13 ' A' ' 45' ' ' LEU . 5.2 t -108.05 -43.23 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.618 ' HG ' HD13 ' A' ' 48' ' ' ILE . 10.6 mp -106.17 -6.24 18.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.469 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.5 -21.54 77.61 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.113 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 p -88.79 5.7 42.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.618 HD13 ' HG ' ' A' ' 45' ' ' LEU . 64.1 mt -96.28 131.62 28.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.405 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 52' ' ' LYS . 30.9 Cg_endo -66.18 139.58 55.93 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.456 2.104 . . . . 0.0 111.294 174.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.2 -33.25 57.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.01 2.61 45.69 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 4.0 ttpt -107.93 -17.77 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.734 HD13 HD13 ' A' ' 58' ' ' ILE . 3.0 tm? -51.5 111.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.319 -172.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 97.3 mt-30 -107.62 153.93 41.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.266 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.18 -27.89 85.81 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.476 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.6 93.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.388 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -63.09 -41.52 99.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.841 0.353 . . . . 0.0 110.246 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.734 HD13 HD13 ' A' ' 53' ' ' LEU . 19.3 mt -65.29 -48.26 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.82 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.38 -44.4 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.802 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -63.57 -37.26 86.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.03 -51.03 67.57 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.522 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.55 ' CE2' HG23 ' A' ' 58' ' ' ILE . 25.1 m-85 -62.78 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.339 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -56.26 23.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.66 0.6 . . . . 0.0 111.451 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m -69.98 -26.25 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.078 0.466 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.682 ' HZ1' HG13 ' A' ' 75' ' ' VAL . 23.2 ttpp -74.81 -24.13 58.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.183 0.516 . . . . 0.0 110.168 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.54 -39.46 64.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.27 -15.23 63.04 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.969 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.8 t -74.1 -17.64 60.92 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.21 35.81 3.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.838 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.591 HD13 ' HG2' ' A' ' 65' ' ' LYS . 14.0 mt -99.87 138.0 37.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.743 0.271 . . . . 0.0 111.04 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 75' ' ' VAL . 46.9 t -63.79 136.92 96.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.2 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.03 -25.47 44.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.408 2.739 . . . . 0.0 112.626 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -62.58 -48.45 79.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -74.74 -27.35 60.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.852 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.682 HG13 ' HZ1' ' A' ' 65' ' ' LYS . 97.1 t -63.46 -41.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.978 175.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -67.11 -38.26 85.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.362 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.89 -47.47 80.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.836 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.552 ' HA ' HG13 ' A' ' 81' ' ' VAL . 80.7 mt -59.7 -34.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.541 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 27.5 t-80 -65.07 -40.33 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.065 0.46 . . . . 0.0 110.363 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.95 -46.61 51.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.552 HG13 ' HA ' ' A' ' 78' ' ' ILE . 11.6 p -66.65 -39.95 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.097 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.37 -40.58 97.63 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 87' ' ' SER . 33.6 t60 -55.95 -52.07 65.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.584 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.45 -46.47 82.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.31 81.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.409 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.8 ttm -71.42 -26.7 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 83' ' ' HIS . 23.0 t -57.84 -30.62 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 177.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -64.2 -39.7 94.54 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.5 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 25.8 ttp-105 -65.5 -49.38 69.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.054 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -79.22 7.98 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.437 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -111.68 2.82 17.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.44 174.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.13 13.33 82.16 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.288 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.21 -27.96 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 34.0 tp -131.73 122.13 25.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.054 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.707 HD23 ' H ' ' A' ' 96' ' ' LEU . 1.4 pt? -80.41 -10.69 59.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.976 -174.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -132.47 170.74 14.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -173.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -120.22 95.21 49.05 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HG2' HD12 ' A' ' 53' ' ' LEU . 2.0 Cg_endo -83.74 -12.25 8.75 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.248 2.632 . . . . 0.0 112.975 -174.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -37.76 88.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.331 -176.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -33.13 61.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.92 -23.62 64.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.212 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.41 93.65 9.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.842 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -71.89 125.22 91.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.844 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.11 174.22 12.79 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 123.07 2.513 . . . . 0.0 112.347 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HG2' HG12 ' A' ' 75' ' ' VAL . 74.7 Cg_exo -51.66 162.03 1.81 Allowed 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.958 2.439 . . . . 0.0 113.317 177.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -67.19 150.85 48.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.284 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.527 ' HE1' ' HG3' ' A' ' 111' ' ' GLU . 18.0 t-80 -97.86 105.07 24.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.894 -177.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HB2' HD22 ' A' ' 110' ' ' LEU . 9.0 Cg_exo -71.32 -80.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.13 2.553 . . . . 0.0 113.326 -174.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.43 HD22 ' HB2' ' A' ' 109' ' ' PRO . 3.4 mm? -78.46 148.93 33.34 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.668 ' HG2' ' H ' ' A' ' 112' ' ' HIS . 24.4 tt0 -143.51 174.84 10.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.668 -175.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.668 ' H ' ' HG2' ' A' ' 111' ' ' GLU . 3.2 t-160 75.98 -58.28 0.54 Allowed 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.149 0.979 . . . . 0.0 111.347 174.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -91.09 111.84 23.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 109.924 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -73.04 156.79 38.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.3 95.16 5.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -76.11 -19.94 58.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 . . . . . 0 C--O 1.246 0.907 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.103 176.77 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.707 0.289 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.4 mt -112.02 -60.47 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -115.82 101.2 54.09 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.452 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HG3' ' HB2' ' A' ' 52' ' ' LYS . 22.1 Cg_endo -61.93 -34.64 80.92 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.835 2.357 . . . . 0.0 112.792 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -159.34 171.46 19.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.232 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 6' ' ' LYS . 39.5 mtpt -99.08 -13.69 19.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.983 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 pt -67.96 86.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.365 0.603 . . . . 0.0 110.813 176.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 31.2 p -84.01 164.56 19.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.043 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.572 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 98.0 t -61.52 -48.03 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.451 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.3 -36.04 76.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -67.6 -45.37 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.594 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -71.36 -47.08 58.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.96 -52.18 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.15 -43.57 98.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.898 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.1 ttm-85 -64.51 -43.39 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.613 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -58.52 -49.36 77.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.013 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 8.0 mp -62.27 -31.52 72.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.248 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.4 m -66.47 -48.83 68.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.82 -46.14 22.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 111.104 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -82.61 6.37 17.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.76 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -53.17 -56.04 19.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 123.223 0.327 . . . . 0.0 110.738 174.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tptt 55.82 92.88 0.06 OUTLIER Pre-proline 0 C--O 1.226 -0.18 0 O-C-N 124.223 0.952 . . . . 0.0 110.389 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -34.26 -66.04 0.11 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.728 2.952 . . . . 0.0 112.866 -176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 66.46 143.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.923 0.868 . . . . 0.0 112.775 168.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mp -97.76 133.89 41.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.07 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 76.41 175.28 0.21 Allowed 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.052 0.845 . . . . 0.0 111.804 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 70.6 93.74 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.642 173.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -95.63 -10.06 30.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.113 174.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 m -58.89 -33.68 70.8 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.603 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -68.18 -27.25 66.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.46 -12.91 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.071 0.462 . . . . 0.0 111.092 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.8 m -66.53 -36.17 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.935 175.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.04 -47.51 79.92 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.14 -42.63 81.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.3 m -72.24 -47.41 50.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.388 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HD2' ' A' ' 40' ' ' HIS . 27.8 m -65.95 -39.63 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.269 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.587 ' O ' HG11 ' A' ' 41' ' ' VAL . 93.4 mt -60.55 -54.75 41.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -47.9 -55.29 10.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.136 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 tp -61.54 -36.22 79.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.384 -170.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.576 ' HD1' HD11 ' A' ' 61' ' ' LEU . 4.9 p80 -98.3 -40.43 8.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -169.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.587 HG11 ' O ' ' A' ' 37' ' ' LEU . 8.0 p -102.4 -30.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.97 -55.49 40.68 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.988 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.71 -11.14 29.14 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.888 1.726 . . . . 0.0 113.093 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -101.69 -66.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 111.764 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -112.23 4.91 18.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -171.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.572 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -61.91 -37.45 94.38 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.142 -176.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -79.77 -0.41 34.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.176 0.512 . . . . 0.0 110.648 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.431 ' O ' HG21 ' A' ' 9' ' ' VAL . 50.8 mt -92.61 134.67 27.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.694 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.651 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.8 Cg_exo -63.3 143.75 89.87 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.711 2.274 . . . . 0.0 112.095 176.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.22 -28.12 62.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.892 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 32.8 mmtp -76.47 -16.75 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HB2' ' HG3' ' A' ' 4' ' ' PRO . 7.0 tmtm? -103.97 -3.93 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.556 . . . . 0.0 110.145 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.612 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -74.23 102.1 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.656 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -101.67 161.08 24.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.471 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.694 ' HG3' ' HA ' ' A' ' 99' ' ' PRO . 32.7 Cg_exo -60.89 -30.01 89.21 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.411 2.074 . . . . 0.0 111.376 173.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.41 87.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.15 -40.43 90.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 110.107 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.612 HD11 HD11 ' A' ' 53' ' ' LEU . 62.1 mt -66.59 -42.68 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.916 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.15 -37.84 88.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.975 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 60' ' ' ARG . 32.0 ttt180 -63.44 -42.13 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.272 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD11 ' HD1' ' A' ' 40' ' ' HIS . 5.6 tt -48.05 -59.31 3.47 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.881 0.738 . . . . 0.0 109.904 176.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.485 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 15.2 m-85 -57.72 -54.43 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.44 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.471 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.2 m -65.45 -49.86 67.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.567 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HG2' ' HG ' ' A' ' 70' ' ' LEU . 77.6 tttt -79.06 -22.76 44.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.035 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.754 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 52.5 tp -59.22 -45.66 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.94 -23.57 67.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.164 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.7 t -76.61 -47.61 21.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.981 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.46 53.98 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.267 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.754 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 36.4 mt -99.02 133.51 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.595 -0.356 . . . . 0.0 110.338 174.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 m -68.05 143.33 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.01 -35.67 72.78 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.713 2.275 . . . . 0.0 112.256 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.4 p -66.69 -41.72 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.984 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -63.41 -37.73 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.634 HG22 HD13 ' A' ' 66' ' ' LEU . 59.3 t -59.7 -41.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 123.369 0.418 . . . . 0.0 110.275 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -72.94 -38.3 66.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.441 ' HA ' HG11 ' A' ' 80' ' ' VAL . 41.6 t80 -64.91 -50.76 65.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.3 mt -57.93 -34.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.622 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.485 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 36.2 t-80 -70.01 -49.07 55.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.267 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.441 HG11 ' HA ' ' A' ' 77' ' ' TYR . 11.3 p -69.86 -37.61 73.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.387 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.05 -33.59 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.303 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.481 HD21 ' HE1' ' A' ' 40' ' ' HIS . 35.4 tp -72.21 -39.23 68.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -64.4 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.69 -50.85 9.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.028 0.442 . . . . 0.0 111.004 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.64 15.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -171.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.6 tpt -75.5 -29.3 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.596 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -67.79 -17.1 64.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 110.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.82 -20.91 64.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.58 75.68 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -66.91 -43.86 82.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.895 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.35 -18.22 60.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -73.76 -12.12 60.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.575 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.11 -5.28 57.65 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.655 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.405 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 3.6 mm? -75.76 -48.3 22.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.21 149.49 35.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.575 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.1 pt? -100.94 -30.52 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.56 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 77.8 mt-30 -103.01 167.9 9.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.321 . . . . 0.0 110.938 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -115.57 94.72 41.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.907 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.694 ' HA ' ' HG3' ' A' ' 55' ' ' PRO . 7.1 Cg_exo -74.31 -22.71 16.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.913 2.409 . . . . 0.0 112.572 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.9 p -69.85 -35.18 74.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.276 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.53 -35.44 60.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.27 8.26 31.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.884 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.54 90.41 8.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 109.468 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -133.82 136.42 26.51 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.332 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 34.6 Cg_endo -67.05 110.71 2.03 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.268 1.979 . . . . 0.0 111.582 174.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 4.4 Cg_exo -78.44 -38.8 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.884 2.389 . . . . 0.0 113.12 -174.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 48.86 67.96 0.78 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.688 0.618 . . . . 0.0 110.642 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -138.88 139.76 24.86 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.261 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -57.54 -32.82 95.33 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.142 2.561 . . . . 0.0 111.667 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 mt -81.79 105.21 12.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.924 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -86.43 83.06 7.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.534 -175.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.0 m80 67.27 171.7 0.26 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.209 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -126.7 96.27 4.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.883 0.373 . . . . 0.0 110.217 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -75.8 129.95 37.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.684 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -84.08 177.41 8.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.93 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -60.96 -65.68 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.952 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 52.2 t60 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.709 179.608 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.833 0.349 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -104.36 -27.63 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.313 0.578 . . . . 0.0 109.445 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -83.46 124.21 75.9 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.417 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.24 94.13 0.24 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.639 2.226 . . . . 0.0 112.121 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -69.73 102.32 1.88 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.77 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -87.45 98.77 11.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.651 0.739 . . . . 0.0 109.33 173.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 12' ' ' TRP . 47.2 mm -95.28 107.89 20.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.744 -173.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 32.8 p -77.33 167.93 20.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.169 176.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.761 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 48.8 t -56.31 -45.74 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.179 0.299 . . . . 0.0 111.405 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HB3' HG13 ' A' ' 42' ' ' ILE . 13.5 pt-20 -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -65.81 -52.24 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.446 -174.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.613 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 69.0 p-90 -77.37 -35.43 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.059 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.05 -39.2 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.471 0.177 . . . . 0.0 111.413 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -59.07 -46.74 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 0.0 110.481 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -80.87 -28.07 36.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.518 ' HZ2' ' HG2' ' A' ' 88' ' ' GLN . 89.6 t90 -57.69 -53.56 56.83 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 4.4 pp -64.93 -26.9 68.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.67 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.6 m -64.8 -37.61 88.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.018 0.437 . . . . 0.0 110.628 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -96.78 -50.75 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -96.47 6.22 49.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -166.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -55.42 -42.02 73.59 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 67.7 159.68 0.14 Allowed Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 123.543 0.527 . . . . 0.0 110.997 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.0 89.18 1.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.09 1.86 . . . . 0.0 111.339 172.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -80.3 144.85 32.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.285 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.654 ' H ' HD23 ' A' ' 25' ' ' LEU . 1.8 pt? -104.95 175.36 5.52 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 68.67 164.49 0.24 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.485 0.49 . . . . 0.0 110.126 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.441 ' HA ' ' HB2' ' A' ' 112' ' ' HIS . 3.9 pt20 -164.56 160.49 20.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -171.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.623 ' O ' ' HB ' ' A' ' 29' ' ' THR . 10.6 p -102.16 -79.26 0.52 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 160.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.623 ' HB ' ' O ' ' A' ' 28' ' ' SER . 5.9 t 164.33 -32.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 124.101 0.876 . . . . 0.0 110.27 167.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -82.88 156.32 23.63 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.908 0.385 . . . . 0.0 111.408 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 mp0 -91.27 81.53 5.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 36' ' ' VAL . 9.7 m -93.05 -46.32 7.51 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.415 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -44.28 -60.86 1.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.335 1.022 . . . . 0.0 113.115 -169.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -37.36 69.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.606 0.241 . . . . 0.0 111.553 -173.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 m -66.6 -47.39 72.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.712 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 32' ' ' SER . 27.0 m -65.7 -39.71 85.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.44 -56.34 10.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.2 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 20.7 tpt180 -47.5 -65.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.131 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.7 tp -52.93 -42.85 65.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.915 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -99.58 -56.33 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.9 m -96.37 -14.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -168.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.3 mp -68.83 -48.07 30.71 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 118.624 0.647 . . . . 0.0 112.301 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 8.1 Cg_exo -73.41 -9.59 23.14 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.861 1.707 . . . . 0.0 112.54 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.9 p -107.35 -67.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.845 0.355 . . . . 0.0 111.735 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -97.62 -29.24 13.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.761 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -66.69 -21.27 70.89 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.797 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -84.46 -3.89 58.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.056 0.455 . . . . 0.0 110.465 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -103.95 133.44 20.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.107 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.82 145.45 96.48 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.321 2.014 . . . . 0.0 111.509 173.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.498 HD23 HD21 ' A' ' 95' ' ' LEU . 94.6 mt -64.45 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.518 . . . . 0.0 111.338 -175.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -75.39 -1.57 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.276 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -124.36 -14.69 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -64.38 122.6 17.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -106.2 154.55 39.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.444 ' HA ' HD13 ' A' ' 58' ' ' ILE . 33.6 Cg_endo -65.44 -27.8 54.46 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.389 2.059 . . . . 0.0 111.222 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.98 99.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.77 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.336 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.457 HD11 HD12 ' A' ' 53' ' ' LEU . 79.3 mt -59.28 -56.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.791 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -65.26 -34.12 77.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.276 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -62.98 -42.85 99.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.715 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -49.89 70.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.58 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 24.3 m-85 -62.67 -47.07 85.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.968 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.0 89.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.891 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -65.67 -40.81 92.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.43 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.7 tptt -85.01 -18.95 32.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.984 0.421 . . . . 0.0 110.489 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.746 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 40.3 tp -66.6 -32.13 73.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.715 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.1 -40.94 91.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.133 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.84 -50.66 27.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.76 40.13 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 119.59 -1.29 . . . . 0.0 113.639 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.746 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 40.2 mt -100.37 164.84 11.75 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.474 -0.427 . . . . 0.0 109.992 172.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -108.2 151.57 41.47 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.3 -23.93 48.61 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.025 2.483 . . . . 0.0 112.965 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.4 p -81.2 -39.34 25.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.634 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.44 -35.94 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.844 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.59 -22.04 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.02 0.438 . . . . 0.0 110.205 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.619 ' O ' HG22 ' A' ' 80' ' ' VAL . 55.5 ttt85 -69.37 -44.23 71.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.32 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -57.71 -48.61 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.673 0.273 . . . . 0.0 110.498 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.06 -36.12 60.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.33 0.586 . . . . 0.0 110.121 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.58 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 1.9 t-80 -66.85 -39.34 87.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.535 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 76' ' ' ARG . 60.0 t -72.97 -48.46 44.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.02 -177.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -38.2 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.581 HD13 ' HE2' ' A' ' 86' ' ' MET . 33.2 tp -71.16 -32.72 69.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.257 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.61 ' HA ' ' HB ' ' A' ' 100' ' ' THR . 52.4 t60 -55.68 -50.64 69.74 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -71.06 -40.31 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.42 -52.62 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.584 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.581 ' HE2' HD13 ' A' ' 82' ' ' LEU . 54.9 mtt -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.302 . . . . 0.0 111.35 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -66.31 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.879 0.371 . . . . 0.0 110.384 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.518 ' HG2' ' HZ2' ' A' ' 16' ' ' TRP . 27.2 tp60 -75.02 -29.29 60.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.068 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.238 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.89 -44.16 86.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.436 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.74 -42.08 96.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.753 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.0 t -67.0 -22.66 65.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.768 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.75 6.45 52.47 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.03 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.18 -36.04 71.81 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 50' ' ' LEU . 3.9 mm? -113.91 115.06 27.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.404 172.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.589 HD21 ' H ' ' A' ' 96' ' ' LEU . 2.5 pt? -70.37 -24.52 62.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.151 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.468 ' O ' ' HB3' ' A' ' 95' ' ' LEU . 11.0 pt20 -127.49 -179.27 4.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.417 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -114.52 95.36 39.81 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.628 0.728 . . . . 0.0 110.982 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.19 -30.81 6.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.755 2.303 . . . . 0.0 112.879 -175.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.61 ' HB ' ' HA ' ' A' ' 83' ' ' HIS . 12.9 p -73.39 -19.55 60.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.147 0.499 . . . . 0.0 111.175 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -95.45 -24.21 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.559 0.695 . . . . 0.0 109.24 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.87 -12.67 61.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.5 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.9 176.33 7.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -65.64 139.21 97.0 Favored Pre-proline 0 N--CA 1.467 0.419 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.242 -171.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -43.78 107.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 124.938 3.759 . . . . 0.0 114.973 -170.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.449 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 98.9 Cg_endo -93.53 -32.03 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.303 2.669 . . . . 0.0 113.585 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.878 ' HG2' ' H ' ' A' ' 108' ' ' HIS . 11.3 ttp180 68.22 -166.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -172.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.878 ' H ' ' HG2' ' A' ' 107' ' ' ARG . 33.1 p-80 -150.0 142.9 16.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.618 ' HD3' ' CG1' ' A' ' 80' ' ' VAL . 90.9 Cg_endo -102.44 -161.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 123.426 2.751 . . . . 0.0 112.094 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.85 114.39 28.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 148.53 36.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.157 0.504 . . . . 0.0 110.605 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 27' ' ' GLN . 14.7 p-80 -93.15 152.17 19.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.309 -171.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 72.3 t60 -84.17 -85.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 167.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 17.8 t-80 173.46 157.09 0.12 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -53.93 133.93 43.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -72.32 77.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.744 0.307 . . . . 0.0 111.563 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.178 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.1 pt -57.75 134.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -127.64 91.46 45.48 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.978 0.418 . . . . 0.0 110.727 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -88.09 22.41 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 123.083 2.522 . . . . 0.0 111.327 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -62.58 -36.3 82.27 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.965 -177.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -126.25 124.64 40.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.214 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.404 HG23 HG22 ' A' ' 8' ' ' THR . 4.2 mp -117.41 -79.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.941 0.4 . . . . 0.0 110.3 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.407 ' OG1' ' HG2' ' A' ' 10' ' ' GLU . 14.7 p -122.39 167.5 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.177 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.456 HG12 HD21 ' A' ' 13' ' ' LEU . 57.3 t -61.55 -32.86 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.26 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HG2' ' OG1' ' A' ' 8' ' ' THR . 13.1 pt-20 -61.07 -22.43 64.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.77 -53.69 54.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.431 ' HE1' HG11 ' A' ' 9' ' ' VAL . 19.7 p-90 -76.29 -24.89 54.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.726 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD21 HG12 ' A' ' 9' ' ' VAL . 1.7 mm? -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.782 0.325 . . . . 0.0 110.195 172.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.71 -48.02 83.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.709 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -63.95 -48.48 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.65 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -57.62 -60.48 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.096 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.531 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -59.98 -37.47 79.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.757 -175.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.1 m -71.28 -50.37 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.823 0.344 . . . . 0.0 111.2 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -72.07 -44.56 63.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.533 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -90.76 0.84 57.31 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -64.89 -43.62 92.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 170.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 tttm 62.48 94.81 0.05 OUTLIER Pre-proline 0 C--O 1.234 0.245 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.452 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.63 117.59 3.1 Favored 'Trans proline' 0 N--CA 1.474 0.355 0 C-N-CA 123.946 3.097 . . . . 0.0 114.505 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -149.95 -171.25 3.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.824 173.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.8 tp -71.66 114.09 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.001 0.429 . . . . 0.0 110.927 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -128.16 -44.26 1.44 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.233 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 65.83 18.82 11.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.058 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.0 p -146.92 152.16 38.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 0.0 111.47 -174.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -145.83 23.6 1.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.3 p90 -125.51 10.94 7.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.548 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.656 ' HG3' ' HE1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -58.79 115.49 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.461 0.648 . . . . 0.0 110.037 173.247 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.4 ' O ' HG21 ' A' ' 36' ' ' VAL . 16.6 m -67.83 -7.95 32.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -167.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.656 ' HE1' ' HG3' ' A' ' 31' ' ' GLU . 12.3 p90 -64.66 -30.85 71.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.294 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -42.24 20.4 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.92 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.7 m -58.52 -57.4 13.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.504 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.44 HG22 ' CE2' ' A' ' 77' ' ' TYR . 30.9 m -63.54 -31.03 51.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.722 0.296 . . . . 0.0 111.136 -176.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.592 ' O ' HG11 ' A' ' 41' ' ' VAL . 29.6 tp -64.31 -64.14 0.96 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.39 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.629 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 24.1 ptt85 -72.42 -36.25 68.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.84 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.7 -38.02 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.586 0.231 . . . . 0.0 111.431 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -88.49 -55.22 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.592 HG11 ' O ' ' A' ' 37' ' ' LEU . 9.9 p -93.79 -27.06 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -168.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.629 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.4 mp -66.55 -43.92 53.43 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 19.5 Cg_endo -60.51 -25.78 81.37 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.782 1.654 . . . . 0.0 113.137 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 t -108.18 -58.35 2.0 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.53 ' HB2' HG23 ' A' ' 41' ' ' VAL . 11.1 mp -88.43 -6.63 57.54 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 111.335 -176.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.45 -16.03 71.12 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.214 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -95.97 9.06 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 110.389 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.426 HD13 ' HG ' ' A' ' 45' ' ' LEU . 67.1 mt -111.7 121.26 40.35 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.856 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.85 134.58 65.41 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.545 2.163 . . . . 0.0 111.887 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.3 mt -55.01 -29.53 57.54 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -176.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 94' ' ' LEU . 12.4 mmmm -76.08 -16.13 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -109.53 -1.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.235 0.54 . . . . 0.0 109.806 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 45' ' ' LEU . 3.3 tm? -69.77 116.75 10.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.521 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -106.73 152.52 40.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.18 -34.39 87.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.755 2.303 . . . . 0.0 112.12 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.63 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.174 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -70.63 -38.29 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.482 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 99' ' ' PRO . 64.1 mt -64.76 -42.69 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 0.0 110.052 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.87 -41.45 99.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.0 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 60' ' ' ARG . 23.0 ttt180 -63.12 -39.28 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.716 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.494 HD21 ' HD3' ' A' ' 65' ' ' LYS . 3.3 tm? -53.1 -46.63 68.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.939 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 26.1 m-85 -64.7 -49.57 70.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.402 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.67 85.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.89 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.4 m -64.25 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.515 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' HD3' HD21 ' A' ' 61' ' ' LEU . 5.0 mptp? -80.92 -29.56 35.51 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.013 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.85 -36.96 80.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 109.884 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.25 -29.84 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.434 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -75.65 -10.57 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.041 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.9 48.33 1.09 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.438 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD21 HG21 ' A' ' 75' ' ' VAL . 34.9 tp -96.29 139.89 31.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.417 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 37.0 m -73.71 133.96 79.17 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.802 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 71' ' ' SER . 50.5 Cg_exo -54.58 -37.39 90.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.295 2.664 . . . . 0.0 112.931 -177.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -65.09 -40.2 94.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.219 0.533 . . . . 0.0 110.491 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 78' ' ' ILE . 18.2 ttm180 -66.56 -34.47 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.815 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.406 HG21 HD21 ' A' ' 70' ' ' LEU . 99.7 t -60.06 -41.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.19 175.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.4 -41.66 98.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.546 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.44 ' CE2' HG22 ' A' ' 36' ' ' VAL . 58.6 t80 -62.84 -47.4 83.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.968 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 74' ' ' ARG . 69.7 mt -57.56 -35.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.002 0.429 . . . . 0.0 110.518 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.462 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 51.0 t-80 -66.23 -40.8 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.242 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.96 -36.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.483 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.54 -35.45 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.619 HD12 ' HE3' ' A' ' 86' ' ' MET . 35.1 tp -69.72 -35.32 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.946 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.38 -40.16 85.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.972 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.4 -58.28 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.04 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.619 ' HE3' HD12 ' A' ' 82' ' ' LEU . 48.4 mtt -83.49 -4.71 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.032 -177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -66.9 -45.18 78.75 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -71.2 -36.53 71.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.7 91.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.993 0.425 . . . . 0.0 110.417 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.556 ' HA ' ' HB2' ' A' ' 95' ' ' LEU . 45.8 ttp180 -57.8 -55.79 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.403 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -79.26 9.73 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.398 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.541 ' HB3' HD21 ' A' ' 94' ' ' LEU . 6.8 t -100.69 -9.33 21.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.38 0.26 56.91 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.457 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 92' ' ' SER . 4.2 mm? -80.11 -43.09 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.888 0.375 . . . . 0.0 110.455 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 90' ' ' ARG . 3.7 mm? -111.28 120.74 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.511 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.565 ' HG ' ' HG2' ' A' ' 97' ' ' GLN . 6.6 tp -69.05 -48.88 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.264 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.565 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 75.0 mm-40 -121.23 163.82 17.93 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.026 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.481 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 43.2 t-20 -87.95 110.01 32.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 98' ' ' ASN . 5.8 Cg_exo -77.28 -15.8 15.79 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 112.81 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -70.12 -33.38 71.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.648 0.261 . . . . 0.0 111.27 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -76.82 -26.68 54.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.147 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.77 -10.03 57.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.249 0.547 . . . . 0.0 110.816 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.51 93.52 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -118.93 117.45 33.7 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.688 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.83 161.65 31.79 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.766 2.311 . . . . 0.0 111.849 174.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.73 155.77 41.24 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.774 2.316 . . . . 0.0 111.772 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.434 ' HB3' ' H ' ' A' ' 108' ' ' HIS . 48.7 mtm180 66.28 -151.44 0.22 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.391 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.434 ' H ' ' HB3' ' A' ' 107' ' ' ARG . 98.2 m-70 -102.67 104.6 39.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.5 0.191 . . . . 0.0 111.242 -177.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -78.43 -35.22 1.23 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.296 1.997 . . . . 0.0 111.396 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.9 mt -152.6 137.79 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.392 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -82.73 -17.05 45.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.168 0.508 . . . . 0.0 110.38 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -102.14 88.71 3.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.18 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -79.77 98.12 6.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.01 -144.96 0.59 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.295 -177.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -142.9 134.71 26.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.004 -0.435 . . . . 0.0 110.521 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -82.84 80.65 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.23 176.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.3 t60 . . . . . 0 C--O 1.246 0.894 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.472 ' HG3' HG21 ' A' ' 2' ' ' ILE . 27.2 ptt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.496 0.188 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.472 HG21 ' HG3' ' A' ' 1' ' ' MET . 35.4 pt -98.88 152.93 4.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.394 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 56.8 68.21 2.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 123.667 0.604 . . . . 0.0 110.716 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.95 -8.72 9.01 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.973 2.449 . . . . 0.0 112.939 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -101.56 102.11 12.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 110.918 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -143.29 93.8 2.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.603 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.8 tt -151.36 106.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.426 0.631 . . . . 0.0 110.581 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 24.0 p -122.64 174.89 6.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.629 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 48' ' ' ILE . 64.6 t -54.27 -49.69 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.347 0.404 . . . . 0.0 111.818 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.97 -43.75 98.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.375 . . . . 0.0 111.301 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -71.46 -36.83 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -73.33 -50.09 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.56 -46.24 90.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.32 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.61 -44.82 85.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.479 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.2 -42.4 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.951 0.405 . . . . 0.0 110.386 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -57.34 -48.97 77.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.098 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.62 -29.03 67.45 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.329 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.1 m -68.36 -50.48 52.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.606 0.241 . . . . 0.0 111.5 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -82.36 -21.89 35.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.753 0.311 . . . . 0.0 111.439 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -100.66 6.68 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.577 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.48 -33.98 10.37 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -98.56 115.85 65.63 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 121.01 0.433 . . . . 0.0 111.239 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -89.38 35.51 0.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 123.212 2.608 . . . . 0.0 112.12 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.3 m80 68.78 -78.9 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.162 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.9 mt -106.4 116.26 31.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -81.6 88.12 6.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.675 0.75 . . . . 0.0 110.514 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -91.37 -46.46 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.177 -176.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 m -85.59 147.65 26.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -84.01 164.75 19.12 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -56.5 117.16 3.58 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.78 176.05 6.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.83 0.347 . . . . 0.0 110.663 -175.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.504 ' HB2' ' OH ' ' A' ' 77' ' ' TYR . 5.3 m -70.27 -25.86 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.465 ' CD2' HG22 ' A' ' 81' ' ' VAL . 66.5 m-85 -54.78 -40.0 68.99 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -55.84 -38.84 70.59 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.57 -177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -90.22 -56.62 3.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.5 HG22 HG21 ' A' ' 81' ' ' VAL . 27.6 m -59.94 -34.38 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -171.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.567 ' O ' HG11 ' A' ' 41' ' ' VAL . 36.9 tp -60.35 -64.81 0.82 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.115 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.674 ' HB2' HD13 ' A' ' 42' ' ' ILE . 17.4 ptt-85 -66.23 -27.66 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 -174.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.5 -37.32 79.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.443 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 11.5 p80 -92.72 -33.96 14.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -172.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 37' ' ' LEU . 9.2 p -102.22 -35.55 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -171.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.674 HD13 ' HB2' ' A' ' 38' ' ' ARG . 28.8 mt -63.21 -53.5 53.41 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.53 -3.43 13.85 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 121.625 1.55 . . . . 0.0 113.208 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.1 p -107.54 -63.35 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 111.67 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.48 18.65 21.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -58.87 -32.8 71.04 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.023 -175.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 t -84.99 8.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.182 0.491 . . . . 0.0 110.899 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 9' ' ' VAL . 43.7 mm -96.35 129.99 32.01 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.201 177.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HG2' ' HD2' ' A' ' 52' ' ' LYS . 21.5 Cg_exo -65.97 147.45 84.7 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 172.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.17 -31.18 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.845 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.22 5.3 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.567 ' HD2' ' HG2' ' A' ' 49' ' ' PRO . 46.9 mttp -116.69 10.22 14.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 109.993 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.48 HD12 HD13 ' A' ' 58' ' ' ILE . 3.0 tm? -79.84 102.94 9.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.618 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -100.7 151.27 37.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.855 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.1 -31.09 89.29 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.917 2.411 . . . . 0.0 112.438 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.62 95.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.062 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.22 -33.59 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.48 HD13 HD12 ' A' ' 53' ' ' LEU . 46.2 mt -68.12 -47.36 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.222 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.57 -40.75 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.04 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -58.15 -46.42 85.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.301 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 3.0 tm? -58.49 -43.81 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 21.4 m-30 -62.33 -43.49 98.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.418 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -44.72 65.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.57 0.544 . . . . 0.0 111.509 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.2 m -61.66 -45.6 93.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.996 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 19.5 pttp -72.25 -23.37 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.913 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.59 -39.82 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.29 -33.31 63.15 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.228 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -68.21 -7.81 33.56 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.663 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.04 6.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.451 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.8 mt -78.75 159.26 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.5 m -101.51 152.87 38.11 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.235 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.405 ' HA ' HG21 ' A' ' 75' ' ' VAL . 72.4 Cg_exo -50.49 -39.74 54.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.174 2.582 . . . . 0.0 113.125 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.5 p -58.55 -44.72 89.74 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.278 0.561 . . . . 0.0 111.01 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' O ' HG13 ' A' ' 78' ' ' ILE . 23.7 mmt180 -67.96 -44.94 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.711 -177.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.405 HG21 ' HA ' ' A' ' 72' ' ' PRO . 5.9 m -71.05 -23.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.993 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -68.56 -44.07 75.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.504 ' OH ' ' HB2' ' A' ' 32' ' ' SER . 63.8 t80 -65.37 -38.62 90.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.33 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.56 HG21 ' HE2' ' A' ' 65' ' ' LYS . 77.3 mt -61.81 -31.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.987 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.426 ' HD2' ' OH ' ' A' ' 62' ' ' TYR . 12.0 t-160 -68.78 -42.39 77.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.708 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.9 m -78.05 -36.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.674 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 78' ' ' ILE . 11.3 p -65.73 -35.57 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.879 0.371 . . . . 0.0 110.638 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.441 HD21 ' HH ' ' A' ' 62' ' ' TYR . 35.8 tp -66.97 -47.48 71.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.074 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.81 -38.56 88.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.16 -60.01 4.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.245 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.52 -27.92 58.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.947 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.4 ttm -69.55 -21.08 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 68.9 m -65.78 -33.2 75.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -65.36 -35.52 81.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.721 0.296 . . . . 0.0 110.878 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.63 80.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -64.26 -49.86 70.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.484 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 87' ' ' SER . 41.3 mt-10 -58.98 -41.24 87.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 m -68.08 -9.49 46.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.68 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 -2.81 78.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.597 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.66 -40.08 84.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.526 0.679 . . . . 0.0 109.465 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.1 tp -116.9 137.86 51.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.403 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.697 HD21 ' H ' ' A' ' 96' ' ' LEU . 2.5 pt? -89.4 -17.71 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.456 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 11.9 pt20 -146.08 -179.81 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.349 . . . . 0.0 111.371 -173.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.531 ' ND2' ' HB2' ' A' ' 101' ' ' GLU . 19.3 t30 -105.79 95.45 10.58 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.773 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 7.2 Cg_exo -73.12 -17.29 24.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.963 2.442 . . . . 0.0 112.015 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.56 -14.1 61.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.531 ' HB2' ' ND2' ' A' ' 98' ' ' ASN . 10.7 tp10 -79.09 -39.47 33.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 -5.35 59.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.74 95.2 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.905 175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 53.5 mtpt -108.84 141.16 22.75 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.426 -175.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 104' ' ' LYS . 31.5 Cg_exo -58.95 122.0 10.88 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.102 2.535 . . . . 0.0 112.571 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -82.31 85.49 1.65 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.674 2.25 . . . . 0.0 112.134 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 107' ' ' ARG . 18.5 ttt180 -82.51 -18.16 42.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -109.86 95.14 19.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 168.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -87.47 169.46 7.02 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 123.468 2.778 . . . . 0.0 112.966 -172.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -113.08 143.2 44.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.707 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.64 162.58 14.88 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -77.93 124.89 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -84.72 131.43 34.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.192 0.52 . . . . 0.0 110.334 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -108.51 5.43 25.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.345 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 69.85 -82.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -166.32 -47.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.613 177.629 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.266 0.555 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -128.36 133.57 66.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.438 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.12 140.37 87.39 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.743 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' C ' ' HG ' ' A' ' 5' ' ' SER . 48.5 Cg_exo -55.07 -53.12 6.43 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.381 2.054 . . . . 0.0 111.596 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.481 ' HG ' ' C ' ' A' ' 4' ' ' PRO . 24.8 p 49.6 31.42 4.19 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.55 0.74 . . . . 0.0 111.932 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -142.31 83.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.888 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pt -157.4 82.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.685 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.702 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 42.8 p -110.75 173.04 6.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.851 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.702 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 59.2 t -61.94 -35.44 68.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.991 0.425 . . . . 0.0 110.247 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HG2' HG22 ' A' ' 42' ' ' ILE . 5.9 mt-10 -55.33 -49.77 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.409 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.49 -28.98 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.321 -174.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -66.71 -45.28 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.04 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.37 -31.67 69.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.09 -46.97 82.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.693 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -71.47 -37.95 71.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.309 0.576 . . . . 0.0 109.918 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -63.76 -63.0 1.29 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.714 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.5 pp -64.69 -27.73 69.12 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -172.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.4 m -73.06 -38.25 66.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.883 0.373 . . . . 0.0 111.277 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.47 -36.86 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.313 0.578 . . . . 0.0 110.666 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -87.51 5.98 36.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.094 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -65.77 -0.34 2.13 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 176.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.578 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . 18.3 ptpt -68.06 174.29 2.5 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.266 175.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.578 ' HD2' ' HB2' ' A' ' 22' ' ' LYS . 88.8 Cg_exo -46.23 122.27 5.32 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.485 2.124 . . . . 0.0 112.09 173.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 55.5 m-70 -95.25 23.73 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.019 -171.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 88.7 mt 70.95 -59.83 0.53 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.717 0.636 . . . . 0.0 109.806 -172.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.476 HH22 ' HG2' ' A' ' 84' ' ' GLU . 23.2 mtm180 -77.74 146.67 35.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 172.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -64.77 -73.41 0.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -174.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.8 m 64.88 173.02 0.2 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.682 -176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 m -84.04 -21.37 31.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.04 -0.413 . . . . 0.0 111.443 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.3 t90 72.81 138.16 0.05 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.471 0.708 . . . . 0.0 110.139 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 70.92 9.24 6.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.664 0.745 . . . . 0.0 109.224 -169.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m -73.81 -63.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.615 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.725 ' HA ' HG22 ' A' ' 36' ' ' VAL . 31.2 p90 -76.79 -28.15 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -60.02 -27.25 66.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.292 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 m -91.73 -56.02 3.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.006 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 33' ' ' TYR . 28.9 m -63.63 -40.88 90.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -170.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' HG11 ' A' ' 41' ' ' VAL . 74.0 mt -65.4 -59.97 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.079 -175.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.525 ' HB2' HD12 ' A' ' 42' ' ' ILE . 31.8 ptt180 -60.13 -35.88 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.117 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.46 -35.46 81.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.654 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -100.55 -46.02 5.34 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -173.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.559 HG11 ' O ' ' A' ' 37' ' ' LEU . 8.6 p -100.43 -20.09 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -167.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 38' ' ' ARG . 8.2 mt -71.04 -50.88 11.27 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.335 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 19.8 Cg_exo -66.97 -19.2 52.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.832 1.688 . . . . 0.0 112.254 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -97.1 -67.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.066 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD13 HD22 ' A' ' 53' ' ' LEU . 68.1 mt -106.01 3.77 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.229 -173.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.702 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -59.94 -30.43 69.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.339 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 m -81.35 -1.22 44.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.789 0.328 . . . . 0.0 111.58 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.493 ' O ' HG21 ' A' ' 9' ' ' VAL . 42.1 mm -95.73 128.16 38.77 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.58 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.634 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 34.6 Cg_exo -57.63 140.37 93.23 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.626 2.217 . . . . 0.0 111.504 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -56.94 -40.81 77.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.43 -2.71 43.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 111.341 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.634 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 57.6 tttp -103.46 -32.35 9.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.623 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 45' ' ' LEU . 2.9 tm? -53.48 123.88 13.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.941 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 56.7 mt-30 -117.81 159.92 40.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.701 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.32 -24.71 69.37 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.777 2.318 . . . . 0.0 112.709 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.65 74.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB3' HD21 ' A' ' 45' ' ' LEU . 20.2 m-20 -69.66 -42.31 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.303 0.573 . . . . 0.0 110.086 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.7 mt -69.11 -34.64 64.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.134 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -57.08 -48.01 79.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.76 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -62.41 -39.11 92.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.887 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.55 -49.46 76.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.193 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.2 m-85 -59.88 -53.13 61.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.633 177.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.95 84.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.689 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.4 t -62.98 -41.33 99.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -79.27 -33.09 43.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.398 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.539 ' HG ' ' HG2' ' A' ' 106' ' ' PRO . 3.4 mm? -63.79 -34.07 77.08 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.092 0.473 . . . . 0.0 110.028 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.82 -32.93 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.527 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.9 m -78.01 -22.19 49.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.938 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.37 42.97 4.13 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.24 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.499 HD21 HD22 ' A' ' 66' ' ' LEU . 1.5 pt? -81.26 161.24 24.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.3 m -67.26 129.27 93.82 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.849 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.69 -34.3 83.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.118 2.545 . . . . 0.0 112.996 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 p -62.22 -30.46 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.96 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.528 ' O ' HG12 ' A' ' 78' ' ' ILE . 18.9 tpp85 -72.0 -52.2 18.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.319 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.519 HG13 HD23 ' A' ' 66' ' ' LEU . 14.6 p -68.95 -27.86 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.004 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.7 -41.74 91.97 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.01 -42.22 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.077 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 74' ' ' ARG . 51.0 mm -56.64 -40.84 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.383 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.491 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 19.3 t-80 -60.35 -45.4 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.5 -36.77 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.729 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.419 HG11 ' HA ' ' A' ' 78' ' ' ILE . 11.1 p -72.97 -37.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.82 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HG ' HG23 ' A' ' 100' ' ' THR . 25.2 tp -73.6 -29.51 62.43 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.443 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 55.2 t-80 -61.11 -51.17 70.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.572 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.476 ' HG2' HH22 ' A' ' 26' ' ' ARG . 10.5 tp10 -59.48 -50.26 74.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.015 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.08 87.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.018 -176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.22 -25.97 61.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.537 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 51.5 m -71.17 -28.36 64.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.671 0.272 . . . . 0.0 110.423 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -41.71 98.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.647 ' HB1' HD13 ' A' ' 94' ' ' LEU . . . -64.61 -41.12 96.41 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.516 176.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.79 -46.09 91.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.012 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 87' ' ' SER . 48.8 mm-40 -65.46 -25.0 67.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.312 -179.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -78.88 -14.9 58.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.635 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.99 -2.9 85.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.906 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.647 HD13 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -81.67 -14.48 56.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.238 0.542 . . . . 0.0 110.295 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.7 tp -120.87 123.14 41.82 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.53 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.711 HD23 ' H ' ' A' ' 96' ' ' LEU . 2.2 pt? -77.93 -30.57 50.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.641 -174.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.475 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 4.9 pp0? -138.32 153.8 49.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.72 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -94.74 104.71 15.27 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 15.3 Cg_exo -67.82 -26.04 38.81 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 111.874 -176.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.443 ' OG1' ' HA ' ' A' ' 83' ' ' HIS . 2.1 p -82.74 -9.9 59.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.371 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.06 -33.66 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 109.6 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.56 25.92 11.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.868 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.6 112.46 22.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.17 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 44.1 mttp -73.37 133.85 80.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.579 -177.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 104' ' ' LYS . 7.3 Cg_exo -73.35 151.61 48.57 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.623 2.216 . . . . 0.0 111.017 173.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.539 ' HG2' ' HG ' ' A' ' 66' ' ' LEU . 46.6 Cg_exo -57.35 -29.21 83.38 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.54 2.16 . . . . 0.0 112.102 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -71.6 103.66 3.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.345 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 109' ' ' PRO . 63.4 m-70 -96.11 132.0 27.73 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.913 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 108' ' ' HIS . 31.2 Cg_exo -58.89 156.72 31.82 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.722 2.282 . . . . 0.0 112.66 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.838 HD13 ' H ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -77.97 26.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.259 -176.752 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 109' ' ' PRO . 25.0 mt-10 -77.35 -179.72 5.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.815 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -83.57 85.09 7.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.03 0.443 . . . . 0.0 109.838 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -122.98 86.75 2.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -108.76 125.56 52.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.627 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -160.71 139.85 10.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 111.73 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -131.06 -20.97 2.7 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 166.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 C--O 1.247 0.953 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.949 176.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtm . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.683 0.278 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.3 mt -86.76 -41.76 15.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.984 0.421 . . . . 0.0 110.15 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -120.11 91.15 45.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.453 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.8 -48.72 0.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.557 2.171 . . . . 0.0 111.631 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m 60.27 -176.55 0.1 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.454 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -173.25 150.91 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.772 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -76.66 89.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.945 0.879 . . . . 0.0 110.909 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.687 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 10.9 m -123.82 155.73 37.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.127 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.21 -46.03 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB3' HG12 ' A' ' 42' ' ' ILE . 12.5 pt-20 -68.31 -17.34 64.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.553 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.687 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -65.86 -62.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.789 -178.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -71.17 -24.99 62.35 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.781 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.543 HD12 ' HG2' ' A' ' 34' ' ' GLU . 1.5 mm? -63.64 -44.62 93.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.061 0.458 . . . . 0.0 110.334 173.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.482 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 9.8 t30 -73.37 -24.36 60.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 -177.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 11.1 mmm-85 -73.2 -41.46 63.77 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.741 0.782 . . . . 0.0 108.999 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.46 ' O ' ' HD1' ' A' ' 20' ' ' TYR . 24.4 t-105 -58.39 -37.54 75.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.773 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.929 HD21 ' HG3' ' A' ' 34' ' ' GLU . 80.3 mt -49.57 -51.77 34.65 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.612 0.57 . . . . 0.0 111.135 177.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 m -68.23 -26.29 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.051 0.453 . . . . 0.0 110.989 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.72 -60.7 2.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.79 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -94.93 7.38 46.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -171.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -56.28 -29.34 61.02 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.123 0.487 . . . . 0.0 110.8 175.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -134.95 80.73 47.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.794 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HB2' ' H ' ' A' ' 24' ' ' HIS . 77.7 Cg_endo -90.63 -152.54 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.217 2.611 . . . . 0.0 112.469 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.429 ' H ' ' HB2' ' A' ' 23' ' ' PRO . 26.3 p-80 -129.22 135.74 49.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.703 178.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 mt 68.99 -79.39 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.571 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 15.7 ptt180 -67.14 117.57 9.35 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.457 0.646 . . . . 0.0 111.712 -170.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 28' ' ' SER . 21.7 pt20 -126.86 145.34 50.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.068 176.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 7.8 t 176.46 -165.46 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -78.44 89.42 4.42 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.608 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 6.6 m-90 -67.93 -32.07 72.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.065 -175.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.36 -2.81 26.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.576 -174.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.6 m -59.74 -27.6 66.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.697 0.284 . . . . 0.0 111.289 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.488 ' HA ' HG23 ' A' ' 81' ' ' VAL . 62.0 m-85 -83.46 -35.17 25.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.579 . . . . 0.0 110.603 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.929 ' HG3' HD21 ' A' ' 17' ' ' LEU . 3.1 tm-20 -79.8 -47.74 14.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.072 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -57.08 -51.72 68.14 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG22 HG11 ' A' ' 81' ' ' VAL . 16.1 m -59.72 -37.96 73.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.442 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.3 mp -64.88 -63.69 1.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.808 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.615 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 11.5 ptm180 -59.45 -39.29 83.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.005 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.52 -40.81 96.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -101.12 -52.03 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 37' ' ' LEU . 14.6 m -96.37 -10.61 8.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -168.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.615 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -77.46 -43.65 2.55 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.49 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.602 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 26.0 Cg_exo -64.9 -14.69 46.5 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.819 1.679 . . . . 0.0 112.096 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.8 p -106.6 -67.33 0.95 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.686 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.1 mt -105.82 -2.12 23.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.221 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -63.14 -30.89 78.88 Favored Glycine 0 CA--C 1.513 -0.057 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.283 -175.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 m -88.67 8.78 26.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.804 0.335 . . . . 0.0 111.129 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.5 mt -104.69 126.25 31.79 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.98 137.74 80.05 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.538 2.159 . . . . 0.0 111.868 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -27.81 67.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.924 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.45 -19.59 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.03 0.443 . . . . 0.0 110.874 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -104.95 -10.59 17.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.245 0.545 . . . . 0.0 110.308 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.55 117.01 6.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.659 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -95.41 148.19 34.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.108 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.27 -24.12 72.79 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.639 2.226 . . . . 0.0 111.88 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.82 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.24 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -71.1 -42.32 69.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.365 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.208 0.528 . . . . 0.0 109.844 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.523 ' HG2' ' HB3' ' A' ' 104' ' ' LYS . 0.7 OUTLIER -56.0 -53.47 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.446 174.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.62 -39.29 83.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.107 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -57.78 -51.44 69.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.844 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.16 -43.17 99.31 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.955 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.74 84.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.712 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.5 m -63.52 -34.46 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.137 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.678 ' HZ1' HD11 ' A' ' 70' ' ' LEU . 3.5 mmmp? -58.35 -49.35 77.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -75.93 -32.42 59.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.336 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -55.71 -39.68 71.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -74.5 -4.4 36.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.427 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.35 40.4 13.38 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.743 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.678 HD11 ' HZ1' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -90.08 147.8 23.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -178.202 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.2 m -60.12 133.99 90.37 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 123.316 0.385 . . . . 0.0 111.192 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -52.21 -35.94 65.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.783 2.988 . . . . 0.0 113.838 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.0 m -65.63 -33.95 77.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 110.381 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' O ' HD12 ' A' ' 78' ' ' ILE . 22.7 mmt85 -80.77 -2.54 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.395 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -95.51 -42.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -57.4 -53.09 62.04 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.56 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -57.1 -54.11 50.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.232 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.472 ' HA ' HG13 ' A' ' 81' ' ' VAL . 1.8 mp -59.04 -40.23 80.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.58 -53.31 53.51 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.935 0.397 . . . . 0.0 110.718 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.58 -53.8 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.253 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG23 ' HA ' ' A' ' 33' ' ' TYR . 13.9 p -63.08 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.602 -174.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.56 -42.48 98.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.328 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.437 ' CD2' ' HB ' ' A' ' 100' ' ' THR . 20.7 m80 -60.38 -56.83 16.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.655 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.71 -28.16 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -174.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.75 86.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 110.639 177.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.15 -24.52 54.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.073 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.646 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 66.8 m -59.36 -37.21 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -56.59 -41.27 76.7 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.75 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.2 -39.31 92.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.778 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.528 HH11 ' HB3' ' A' ' 98' ' ' ASN . 55.9 ttp180 -64.24 -51.07 65.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.51 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 87' ' ' SER . 6.1 mm-40 -63.93 -23.38 67.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.141 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -70.18 -25.7 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.043 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.15 2.77 51.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.901 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.75 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -89.31 -18.61 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 110.192 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.3 tp -130.3 117.48 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.468 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -88.41 -25.52 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.526 -176.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.542 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.3 mt-30 -100.97 169.76 8.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.807 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.528 ' HB3' HH11 ' A' ' 90' ' ' ARG . 6.7 p30 -122.76 98.24 43.21 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.615 0.722 . . . . 0.0 110.659 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.6 -17.05 11.45 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.042 2.495 . . . . 0.0 111.526 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.437 ' HB ' ' CD2' ' A' ' 83' ' ' HIS . 3.5 p -74.6 -50.86 16.26 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.751 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.63 -18.91 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.914 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 11.53 23.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.553 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.09 146.75 25.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.523 ' HB3' ' HG2' ' A' ' 59' ' ' GLN . 35.7 tttp -73.48 127.25 89.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 112.356 -171.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.641 ' HB3' ' HG3' ' A' ' 109' ' ' PRO . 71.9 Cg_endo -81.0 142.4 13.74 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.845 2.363 . . . . 0.0 112.038 172.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.84 -65.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.346 2.031 . . . . 0.0 110.756 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -129.4 -71.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -139.5 102.03 7.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.983 0.421 . . . . 0.0 110.3 173.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.641 ' HG3' ' HB3' ' A' ' 105' ' ' PRO . 86.0 Cg_endo -83.04 -13.43 9.1 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.633 2.222 . . . . 0.0 111.613 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.46 HD22 ' HG2' ' A' ' 109' ' ' PRO . 2.9 mm? -82.52 81.25 8.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.576 ' HG2' ' HB3' ' A' ' 113' ' ' HIS . 43.6 tt0 -104.4 143.59 32.8 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.161 -1.381 . . . . 0.0 110.461 -169.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -74.66 54.27 0.6 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.555 0.693 . . . . 0.0 110.591 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.576 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 2.5 t-80 -150.87 97.16 2.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.849 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -132.65 -72.09 0.52 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 27.7 t60 59.16 112.66 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 124.192 0.932 . . . . 0.0 112.807 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -78.23 113.28 16.04 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.439 179.516 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.716 ' HG3' HG13 ' A' ' 2' ' ' ILE . 25.0 ptt? . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.461 0.172 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.716 HG13 ' HG3' ' A' ' 1' ' ' MET . 27.0 mt -130.75 65.47 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-O 121.233 0.54 . . . . 0.0 109.948 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -119.84 119.28 31.29 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.857 175.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.48 155.61 63.2 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.83 2.353 . . . . 0.0 113.009 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -132.74 149.64 52.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.513 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 30.5 mmtp -124.17 -153.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.234 -175.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tt -66.28 104.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.808 0.813 . . . . 0.0 110.786 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.521 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 13.0 p -94.97 178.11 5.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.341 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.579 ' HA ' ' NE1' ' A' ' 12' ' ' TRP . 59.8 t -62.84 -37.09 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.311 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.67 -23.3 67.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.334 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.13 -52.13 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.667 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.579 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 61.7 p-90 -79.29 -24.3 42.99 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.023 -176.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 42' ' ' ILE . 24.0 mt -71.89 -34.5 69.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.678 174.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -57.85 -41.89 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 174.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 3.3 mmp_? -67.34 -45.13 77.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.313 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.477 ' O ' ' HD1' ' A' ' 20' ' ' TYR . 6.5 t-105 -55.97 -56.79 16.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.603 ' HA ' ' CE1' ' A' ' 20' ' ' TYR . 8.9 mp -55.55 -46.65 77.1 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.419 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.2 m -68.53 -26.7 65.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.02 0.438 . . . . 0.0 111.263 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.61 -60.62 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.602 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.603 ' CE1' ' HA ' ' A' ' 17' ' ' LEU . 17.8 p90 -74.53 -10.09 59.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.131 -173.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 22' ' ' LYS . . . -56.15 -51.63 67.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HZ2' ' HB2' ' A' ' 22' ' ' LYS . 8.4 mtmp? 69.71 164.44 0.14 Allowed Pre-proline 0 N--CA 1.465 0.28 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.502 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.49 178.62 7.17 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.511 2.141 . . . . 0.0 111.572 173.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.436 ' C ' HD23 ' A' ' 25' ' ' LEU . 91.7 m-70 70.55 -91.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.351 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 HD23 ' C ' ' A' ' 24' ' ' HIS . 1.5 pt? 35.15 40.68 0.06 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.185 0.994 . . . . 0.0 112.448 -174.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.63 ' O ' ' HD2' ' A' ' 26' ' ' ARG . 3.1 tmm_? -70.94 -21.81 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.069 -176.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -61.43 -31.85 71.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.908 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.2 t 70.01 154.79 0.13 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.843 0.714 . . . . 0.0 111.035 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 t -166.99 -48.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.2 t90 61.25 109.14 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.397 0.679 . . . . 0.0 111.287 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -111.79 157.47 20.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.904 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 36' ' ' VAL . 34.8 m -94.57 -8.26 38.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.623 0.249 . . . . 0.0 111.407 175.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.07 -42.91 95.55 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -170.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -82.16 -33.19 29.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.391 0.615 . . . . 0.0 109.578 -177.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.9 m -63.91 -54.07 40.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.252 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 32' ' ' SER . 35.2 m -66.21 -30.51 50.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.707 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.587 ' O ' HG13 ' A' ' 41' ' ' VAL . 25.9 tp -65.58 -65.25 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.684 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 37.7 ptt180 -68.26 -37.18 80.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -174.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.31 -33.4 74.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.732 0.301 . . . . 0.0 111.644 -177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -95.2 -48.32 5.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 37' ' ' LEU . 10.0 p -100.62 -18.91 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.684 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -69.49 -47.42 26.24 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.673 -0.642 . . . . 0.0 112.221 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 59.4 Cg_endo -72.96 -5.14 16.68 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 121.519 1.48 . . . . 0.0 112.826 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 41' ' ' VAL . 9.5 p -108.22 -66.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.899 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.716 ' HG ' HD13 ' A' ' 48' ' ' ILE . 11.2 mp -107.72 9.27 29.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -175.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.521 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -63.95 -24.03 68.11 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.873 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -95.61 19.01 11.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 111.182 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.716 HD13 ' HG ' ' A' ' 45' ' ' LEU . 42.2 mt -106.67 125.32 33.04 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.032 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.719 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 21.6 Cg_endo -61.55 144.63 97.91 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.791 2.328 . . . . 0.0 112.064 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.438 HD12 HD13 ' A' ' 94' ' ' LEU . 95.2 mt -69.67 -25.73 64.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -168.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -83.6 -26.61 29.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.773 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.719 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 6.6 tmtm? -78.93 -22.31 45.98 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.27 106.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -93.79 157.93 37.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.763 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.94 -26.1 81.42 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 121.876 1.717 . . . . 0.0 110.572 168.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.31 68.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.915 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -71.42 -36.49 71.34 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.4 mt -67.3 -40.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.701 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -59.31 -43.93 92.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.437 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.71 -43.03 89.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.917 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.496 HD23 HD12 ' A' ' 45' ' ' LEU . 2.8 tm? -54.41 -46.86 73.25 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.272 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 27.5 m-85 -65.05 -46.4 81.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.28 -52.04 63.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.661 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.9 m -69.46 -17.24 63.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.09 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 5.4 mmtm -97.61 -28.54 13.89 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.571 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.65 -36.31 83.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.33 -31.86 64.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.25 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.4 m -77.46 -4.91 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.225 -177.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.47 34.98 6.38 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.111 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -76.81 128.93 35.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 75' ' ' VAL . 41.6 m -62.93 128.41 92.07 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.141 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.54 -36.7 40.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.501 2.801 . . . . 0.0 113.148 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -63.06 -41.12 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.283 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.531 ' O ' HG12 ' A' ' 78' ' ' ILE . 60.9 ttm-85 -81.72 -27.55 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.373 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 71' ' ' SER . 94.9 t -60.3 -42.41 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.44 0.638 . . . . 0.0 109.329 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -69.53 -33.67 73.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.159 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.16 -47.46 79.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.687 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 74' ' ' ARG . 50.8 mm -61.91 -35.43 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.26 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.479 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 25.4 t-80 -60.24 -44.44 95.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.233 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.58 -39.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.478 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -69.26 -37.96 76.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.54 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.54 -33.06 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.484 ' HA ' HG22 ' A' ' 100' ' ' THR . 0.2 OUTLIER -52.83 -54.07 39.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.536 176.307 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 13.5 pt-20 -77.44 -38.95 48.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.538 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.46 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 0.0 111.568 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.764 ' HE2' ' HA ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -72.13 -30.44 65.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.464 . . . . 0.0 110.122 179.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 t -65.75 -30.95 71.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.257 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 21.7 mt-30 -59.3 -39.15 82.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.327 175.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.935 ' HB3' HD12 ' A' ' 94' ' ' LEU . . . -65.54 -41.36 93.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.334 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.744 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 19.9 ttp180 -59.21 -52.34 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.385 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -77.19 1.99 16.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.484 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.6 t -92.79 -8.53 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 172.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 -8.0 79.43 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.026 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.935 HD12 ' HB3' ' A' ' 89' ' ' ALA . 4.6 pp -87.67 -8.24 56.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 110.866 -176.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.744 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 25.5 tp -132.14 135.46 46.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.498 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.744 HD23 ' H ' ' A' ' 96' ' ' LEU . 2.1 pt? -78.22 -32.05 49.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.478 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 4.1 pt20 -145.92 -174.7 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.014 -175.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.83 100.31 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.317 0.579 . . . . 0.0 111.009 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.19 -14.16 37.4 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.74 2.294 . . . . 0.0 111.309 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -65.13 -34.58 78.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.974 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -70.87 -19.74 62.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.14 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.61 4.78 38.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.601 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -93.32 99.6 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.277 0.561 . . . . 0.0 110.126 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -120.19 138.51 27.21 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.94 -176.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.31 143.15 88.5 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.0 2.467 . . . . 0.0 112.451 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.635 ' HB2' ' HG3' ' A' ' 109' ' ' PRO . 44.2 Cg_endo -69.73 95.19 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.565 2.176 . . . . 0.0 112.537 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -79.53 -47.66 15.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.945 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -139.61 77.24 28.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.477 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.635 ' HG3' ' HB2' ' A' ' 106' ' ' PRO . 98.1 Cg_endo -96.82 -157.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.252 2.635 . . . . 0.0 112.59 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -107.08 134.21 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.773 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.95 86.43 5.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.393 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.96 -82.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 173.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 57.58 84.18 0.1 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.958 0.409 . . . . 0.0 110.711 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.23 106.52 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.451 0.643 . . . . 0.0 111.256 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.67 115.87 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.925 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -155.0 -41.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.935 0.397 . . . . 0.0 110.22 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.7 p80 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.499 -0.763 . . . . 0.0 109.28 178.213 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.62 96.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.406 ' C ' ' H ' ' A' ' 5' ' ' SER . 36.3 tt0 -106.36 -44.36 0.13 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 115.354 -0.839 . . . . 0.0 113.222 -172.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.25 36.16 0.21 Allowed 'Trans proline' 0 C--N 1.363 1.339 0 C-N-CA 122.758 2.305 . . . . 0.0 114.187 -175.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 3' ' ' GLU . 2.5 t -173.16 104.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -100.36 140.82 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.585 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.1 mt 57.86 70.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.478 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.436 ' OG1' ' HG3' ' A' ' 11' ' ' GLN . 67.5 p -107.19 176.2 5.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.092 -178.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.773 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.6 t -62.55 -41.69 92.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.734 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -36.11 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.889 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.436 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 51.8 mt-30 -70.08 -33.7 72.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.115 0.483 . . . . 0.0 110.321 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -66.84 -50.37 62.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.822 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.755 HD13 HD11 ' A' ' 42' ' ' ILE . 83.8 mt -66.11 -36.57 83.52 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -54.89 -46.19 74.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.907 0.384 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.71 -35.67 38.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.789 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -59.78 -53.22 60.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.154 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 6.8 mp -58.59 -42.44 88.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.566 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.7 m -66.53 -36.84 83.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.683 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -88.15 -42.15 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.834 0.35 . . . . 0.0 111.717 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -89.95 4.77 49.05 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -62.51 -59.66 4.63 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.808 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . 65.4 mttm 69.13 168.49 0.12 Allowed Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.504 175.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' A' ' 22' ' ' LYS . 11.4 Cg_endo -55.02 144.38 68.88 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.867 2.378 . . . . 0.0 112.984 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -77.17 79.83 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.992 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.1 tp -134.48 127.97 32.49 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 63.52 22.69 13.31 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.476 0.485 . . . . 0.0 110.209 -171.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -57.35 -40.25 77.65 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.073 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m 52.35 32.75 11.57 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.526 0.516 . . . . 0.0 111.985 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 p 48.56 38.42 11.11 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.999 0.52 . . . . 0.0 111.972 -175.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -69.36 102.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.492 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -161.72 25.16 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.911 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 m -57.02 -50.34 73.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.905 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -80.3 -30.84 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.102 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 58.8 mm-40 -55.6 -57.64 11.11 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.313 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -54.56 -63.92 1.0 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.616 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -56.74 -38.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.592 ' O ' HG21 ' A' ' 41' ' ' VAL . 19.6 tp -66.24 -64.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.305 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 18.0 ptp180 -57.85 -43.31 85.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.154 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.1 tp -62.75 -41.65 99.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.967 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -100.15 -42.15 6.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -170.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.592 HG21 ' O ' ' A' ' 37' ' ' LEU . 4.1 m -100.42 -16.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.755 HD11 HD13 ' A' ' 13' ' ' LEU . 15.8 mm -72.68 -53.55 5.53 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 120.217 -0.593 . . . . 0.0 112.305 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 Cg_exo -66.37 -8.56 21.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 121.902 1.735 . . . . 0.0 112.681 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 p -107.19 -67.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.83 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 57' ' ' ASP . 3.5 mm? -98.24 -17.81 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.397 -176.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.773 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.23 -34.5 90.13 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.468 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.6 m -77.91 7.64 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.979 0.419 . . . . 0.0 111.357 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.402 HG23 ' HD3' ' A' ' 52' ' ' LYS . 71.2 mt -116.89 133.61 23.06 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.167 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.89 145.66 98.71 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.74 2.293 . . . . 0.0 111.547 174.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.63 ' HB3' HD12 ' A' ' 95' ' ' LEU . 4.9 mp -66.57 -23.78 66.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -175.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -1.88 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.799 0.333 . . . . 0.0 111.246 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 35.5 tttm -123.23 7.75 9.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 173.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 58' ' ' ILE . 2.7 tm? -72.56 99.31 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.446 0.641 . . . . 0.0 109.602 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -94.89 140.5 22.53 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.231 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.07 -34.18 94.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.038 2.492 . . . . 0.0 112.215 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.5 90.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.512 ' HB3' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.07 -32.08 66.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.557 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.667 HD13 HD13 ' A' ' 53' ' ' LEU . 71.2 mt -64.82 -46.07 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.949 174.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.51 -38.04 89.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.139 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -61.08 -38.75 87.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.474 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.83 -46.82 84.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.419 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.6 m-85 -62.91 -47.5 82.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.25 99.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.503 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -67.5 -39.56 85.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.789 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.901 ' HB3' HD12 ' A' ' 70' ' ' LEU . 3.8 mptp? -78.57 -20.35 50.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.276 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.81 -42.05 95.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.6 -27.1 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.652 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.8 m -67.19 -22.05 65.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.59 5.5 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.936 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.901 HD12 ' HB3' ' A' ' 65' ' ' LYS . 72.1 mt -86.56 128.22 34.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.607 -0.349 . . . . 0.0 110.166 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 74' ' ' ARG . 24.3 p -70.98 151.14 95.05 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.84 -36.71 43.67 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.364 2.709 . . . . 0.0 113.414 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -69.56 -34.08 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 111.694 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HG2' ' OG ' ' A' ' 71' ' ' SER . 30.3 mmm-85 -75.19 -37.75 61.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.306 0.574 . . . . 0.0 109.645 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 80' ' ' VAL . 67.2 ttt180 -58.89 -44.86 91.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.939 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.5 -46.76 86.98 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.783 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.515 ' HA ' HG12 ' A' ' 81' ' ' VAL . 74.5 mt -57.15 -39.65 68.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.697 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.419 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 30.9 t-80 -62.91 -37.06 85.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 76' ' ' ARG . 86.7 t -75.18 -45.38 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.306 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 78' ' ' ILE . 14.2 p -68.71 -38.81 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.02 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.439 ' HG ' HG23 ' A' ' 100' ' ' THR . 32.5 tp -70.01 -35.44 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.41 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 48.2 t-80 -58.5 -49.51 77.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.018 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.5 -56.95 15.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.187 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.42 -46.07 80.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.606 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 mmt -74.7 -19.1 60.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.909 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -70.61 -42.31 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.938 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -67.38 -41.73 84.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.149 176.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.603 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -59.77 -39.99 86.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 175.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.617 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 34.2 ttt180 -59.02 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.985 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.54 -18.36 65.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.657 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m -83.27 0.26 46.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.6 11.59 77.18 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.365 175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 89' ' ' ALA . 4.6 pp -100.75 -0.14 37.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.204 0.526 . . . . 0.0 110.664 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' A' ' 50' ' ' LEU . 13.9 tp -114.76 -98.3 0.44 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.875 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.535 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 44.4 tp 170.94 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.687 0.756 . . . . 0.0 109.211 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.535 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 49.7 mt-30 -144.86 -171.1 3.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.099 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -107.59 94.9 12.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 121.723 0.773 . . . . 0.0 110.52 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -82.89 -17.72 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.457 2.105 . . . . 0.0 112.061 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.439 HG23 ' HG ' ' A' ' 82' ' ' LEU . 9.0 p -74.43 -18.71 60.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.437 ' O ' ' HE2' ' A' ' 104' ' ' LYS . 27.6 tt0 -91.7 -27.33 18.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.75 -29.0 40.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.94 134.72 38.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.437 ' HE2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -128.48 152.11 77.8 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.184 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.521 ' HB2' ' HD3' ' A' ' 106' ' ' PRO . 52.6 Cg_exo -52.79 -48.35 22.5 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.623 2.215 . . . . 0.0 113.598 175.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.521 ' HD3' ' HB2' ' A' ' 105' ' ' PRO . 6.1 Cg_exo -80.02 -169.84 0.88 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.054 1.836 . . . . 0.0 111.908 175.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -85.54 -80.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -171.5 98.61 0.4 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.343 0.592 . . . . 0.0 110.167 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -84.79 -152.95 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.87 2.38 . . . . 0.0 112.316 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.46 48.74 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.73 -64.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.651 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -144.79 93.04 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.328 -170.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -150.28 -28.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.35 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.554 ' O ' ' HB2' ' A' ' 115' ' ' HIS . 48.6 t-80 -97.4 71.93 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.996 -176.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' A' ' 114' ' ' HIS . 2.7 t-80 166.38 -45.25 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -158.68 144.21 16.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.031 -1.441 . . . . 0.0 107.797 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 50.6 m170 . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.061 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.808 0.337 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -83.92 77.54 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.283 1.039 . . . . 0.0 109.88 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -143.16 88.05 8.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.641 -178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.32 -40.2 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.3 2.667 . . . . 0.0 113.701 -173.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -88.03 127.94 35.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.921 0.391 . . . . 0.0 110.76 -174.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 7' ' ' ILE . 43.3 mmtm -119.68 -133.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.575 178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' H ' ' HB3' ' A' ' 6' ' ' LYS . 47.2 pt 45.08 61.15 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.658 1.183 . . . . 0.0 113.337 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.713 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 77.7 p -88.3 168.34 12.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.245 171.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.994 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 60.9 t -56.36 -41.88 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HA ' HG13 ' A' ' 42' ' ' ILE . 11.5 pt-20 -68.56 -42.78 77.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.633 0.254 . . . . 0.0 111.322 -177.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.81 -39.42 83.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 0.0 110.571 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -71.71 -38.9 70.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.656 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.649 ' HG ' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -58.19 -47.82 82.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -177.724 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.968 0.413 . . . . 0.0 110.553 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -67.22 -32.43 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -59.16 -43.06 92.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 34' ' ' GLU . 11.3 mp -66.32 -50.52 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.643 176.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 m -53.81 -48.18 70.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.774 -177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -76.88 -52.91 8.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.364 -173.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -72.36 -33.97 67.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 29' ' ' THR . . . -76.65 -54.92 6.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.28 178.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? 52.46 83.71 0.22 Allowed Pre-proline 0 C--O 1.234 0.265 0 O-C-N 123.83 0.706 . . . . 0.0 111.501 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.97 102.55 0.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.803 2.336 . . . . 0.0 112.374 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -97.66 -38.33 9.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.578 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 tt -148.54 -45.91 0.15 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.299 -174.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -64.52 106.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.944 -174.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -70.55 -46.71 63.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.744 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -80.87 91.41 5.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.02 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.553 HG23 ' HB1' ' A' ' 21' ' ' ALA . 41.7 m -121.3 97.37 5.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.501 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -165.95 138.64 4.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.335 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.515 ' HG2' ' H ' ' A' ' 32' ' ' SER . 11.5 tt0 -137.95 -157.24 0.76 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.542 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.7 m -80.55 -46.21 16.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.403 ' HA ' HG22 ' A' ' 81' ' ' VAL . 8.3 m-85 -51.96 -62.43 1.64 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.771 0.669 . . . . 0.0 112.343 -170.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.602 ' HB3' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -60.77 -46.39 90.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.284 -174.314 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 m -56.47 -54.07 50.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.132 -175.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 32' ' ' SER . 21.5 m -68.05 -39.61 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 CA-C-O 120.986 0.422 . . . . 0.0 111.335 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.61 ' O ' HG11 ' A' ' 41' ' ' VAL . 17.5 tp -65.52 -56.11 14.12 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.577 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 15.7 ptm180 -60.56 -37.8 82.46 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -176.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.58 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.614 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.431 ' HD1' ' HG2' ' A' ' 65' ' ' LYS . 94.6 m-70 -91.77 -46.81 7.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.61 HG11 ' O ' ' A' ' 37' ' ' LEU . 13.0 p -92.0 -32.46 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.649 HD12 ' HG ' ' A' ' 13' ' ' LEU . 1.4 mp -62.95 -48.38 84.95 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.51 -37.78 90.12 Favored 'Trans proline' 0 C--N 1.355 0.868 0 C-N-CA 122.108 1.872 . . . . 0.0 113.696 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.409 HG22 HD12 ' A' ' 45' ' ' LEU . 3.5 t -107.51 -51.19 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 57' ' ' ASP . 11.1 mp -95.02 -9.23 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.127 -0.358 . . . . 0.0 111.358 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.994 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.65 -30.74 78.54 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.192 -176.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -80.81 5.31 16.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.7 mt -102.28 131.68 22.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.713 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 11.2 Cg_endo -57.3 144.1 91.97 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.405 2.07 . . . . 0.0 111.586 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD23 HG21 ' A' ' 9' ' ' VAL . 90.3 mt -53.59 -39.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -80.76 -1.68 43.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.635 0.255 . . . . 0.0 111.6 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HB2' ' HG2' ' A' ' 49' ' ' PRO . 33.2 tttm -106.37 -3.46 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.345 0.593 . . . . 0.0 109.697 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.786 HD12 HD13 ' A' ' 58' ' ' ILE . 3.3 tm? -69.32 129.97 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.683 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -118.51 144.45 35.31 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.639 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 30.2 Cg_endo -63.77 -24.18 68.78 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.03 2.486 . . . . 0.0 112.589 -179.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.56 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.496 ' HB3' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.05 -30.14 63.49 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.944 178.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.786 HD13 HD12 ' A' ' 53' ' ' LEU . 62.8 mt -63.16 -46.85 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.215 0.531 . . . . 0.0 110.074 175.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.83 -36.48 84.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.174 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -66.48 -35.98 81.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.479 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.92 -46.78 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.45 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.2 m-85 -60.35 -48.91 79.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.78 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.15 -46.55 90.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.298 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.7 t -65.85 -39.18 90.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HB3' HD11 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -79.59 -21.26 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.569 0.223 . . . . 0.0 111.353 -178.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.99 -36.89 83.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.87 -22.98 66.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.964 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -72.83 -20.61 61.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.103 0.478 . . . . 0.0 110.444 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.66 49.55 0.96 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.798 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 65' ' ' LYS . 93.3 mt -99.26 139.91 34.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.7 m -72.91 145.76 86.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.293 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.56 -43.26 39.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.2 2.6 . . . . 0.0 112.99 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -32.33 73.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -73.71 -41.07 63.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.901 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.07 -36.01 76.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.825 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.452 ' O ' HG22 ' A' ' 80' ' ' VAL . 70.2 ttt180 -56.88 -46.62 81.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.385 176.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.61 -42.45 96.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.623 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.34 -41.47 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.335 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.45 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 47.2 t-80 -65.57 -39.13 91.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 76' ' ' ARG . 96.1 t -69.2 -53.33 26.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.217 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 33' ' ' TYR . 14.9 p -62.14 -37.47 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 0.0 110.915 -176.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HG ' HG21 ' A' ' 100' ' ' THR . 53.9 tp -65.85 -40.38 91.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.177 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -69.01 -43.75 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.501 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -67.69 -42.0 82.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.754 -175.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.74 -43.09 31.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.786 0.327 . . . . 0.0 111.347 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 22.2 mmt -83.02 5.29 22.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -175.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 55.1 p -66.35 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -57.13 -36.08 70.25 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.783 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HB1' HD22 ' A' ' 95' ' ' LEU . . . -61.88 -48.27 81.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.155 0.502 . . . . 0.0 110.715 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.82 -44.84 76.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 87' ' ' SER . 44.0 mt-10 -66.41 -30.33 70.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.681 -176.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -84.41 -4.08 58.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.28 0.562 . . . . 0.0 110.006 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.63 9.94 86.62 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.32 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 3.4 pp -85.72 -15.74 41.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.067 0.461 . . . . 0.0 109.959 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.517 HD22 ' HB1' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -113.81 138.4 50.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 170.559 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 37.3 tp -58.47 -54.47 46.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.614 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 54.3 mt-30 -138.85 -171.01 2.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.249 -174.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -103.76 95.49 7.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.614 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 3.2 Cg_exo -77.24 -23.09 10.58 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.28 2.653 . . . . 0.0 112.205 -177.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.504 HG21 ' HG ' ' A' ' 82' ' ' LEU . 15.6 p -71.85 -21.03 61.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.309 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -91.89 -26.29 18.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.95 58.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.015 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.63 115.39 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.992 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -110.75 146.46 34.45 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.68 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 32.4 Cg_exo -57.93 139.69 91.26 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.024 2.483 . . . . 0.0 112.665 -179.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 7.6 Cg_exo -73.99 20.4 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.547 2.831 . . . . 0.0 112.878 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -65.05 -28.36 69.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.633 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.7 m80 61.89 75.43 0.43 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.266 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -73.22 141.29 32.1 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.375 2.05 . . . . 0.0 111.256 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.15 -22.63 18.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.512 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -114.54 104.88 12.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.179 0.514 . . . . 0.0 109.805 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -167.47 -60.1 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.463 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.1 t60 178.22 107.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -82.52 55.47 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.38 0.61 . . . . 0.0 111.093 -172.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -148.41 104.02 3.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.517 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -107.02 -42.73 4.82 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.072 175.334 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.5 ttm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.1 tt -64.46 110.52 1.0 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 112.338 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 174.88 101.76 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.95 -61.8 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.822 2.348 . . . . 0.0 111.959 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t 56.57 -161.93 0.19 Allowed 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.717 0.636 . . . . 0.0 110.731 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -116.31 65.48 0.71 Allowed 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 173.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.2 78.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.808 0.813 . . . . 0.0 111.194 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.632 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.9 p -94.17 179.7 5.23 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.929 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.804 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 21.6 t -68.38 -35.97 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.717 -178.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 11' ' ' GLN . 9.2 pt-20 -61.28 -41.15 96.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.873 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 47.3 tt0 -77.25 -39.85 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.673 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -63.26 -52.34 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.716 HD11 HD23 ' A' ' 37' ' ' LEU . 75.9 mt -56.97 -53.56 56.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.26 -38.65 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.735 0.303 . . . . 0.0 111.61 -174.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -72.87 -53.66 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.084 0.469 . . . . 0.0 110.177 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.555 ' O ' ' HD1' ' A' ' 20' ' ' TYR . 5.6 t-105 -60.1 -45.74 91.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.684 -174.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD11 ' HE1' ' A' ' 20' ' ' TYR . 7.9 mp -56.99 -43.51 81.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.748 0.309 . . . . 0.0 111.05 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.9 m -63.68 -27.59 69.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.27 0.557 . . . . 0.0 110.604 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -85.37 -58.7 2.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.368 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.555 ' HD1' ' O ' ' A' ' 16' ' ' TRP . 7.2 p90 -93.48 -24.49 17.99 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -170.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -91.49 3.48 54.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.338 . . . . 0.0 111.278 -174.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -125.25 79.45 66.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.818 176.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.641 ' HD2' ' HB2' ' A' ' 28' ' ' SER . 96.3 Cg_endo -79.74 164.57 23.05 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.58 2.187 . . . . 0.0 112.706 -176.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -87.22 -23.0 24.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.784 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 25' ' ' LEU . 5.5 mp -91.3 107.42 19.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.474 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.4 tpt85 67.9 106.44 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.786 0.678 . . . . 0.0 110.138 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.03 132.7 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.744 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.641 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . 28.9 t -73.62 122.41 22.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.055 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 t -108.97 -178.23 3.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.781 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 62.16 93.41 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.03 0.532 . . . . 0.0 111.222 -176.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -90.49 6.64 42.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' HG21 ' A' ' 36' ' ' VAL . 15.7 m -55.56 -33.87 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.317 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -57.84 -49.83 75.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.683 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 30.9 tt0 -63.18 -46.43 87.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.107 0.48 . . . . 0.0 110.238 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -57.94 -61.57 2.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.814 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 32' ' ' SER . 33.4 m -63.16 -33.52 61.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.479 -174.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.716 HD23 HD11 ' A' ' 13' ' ' LEU . 20.0 tp -62.53 -68.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.578 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 38.2 ptt180 -63.37 -41.74 98.83 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.417 -173.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.38 -38.45 83.94 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.285 0.366 . . . . 0.0 111.734 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -100.53 -55.73 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -174.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 37' ' ' LEU . 18.8 m -99.32 -10.8 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -165.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.573 ' HB ' ' HA ' ' A' ' 38' ' ' ARG . 1.2 mp -72.71 -48.48 8.67 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.078 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.2 Cg_endo -72.16 -10.36 25.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.776 1.651 . . . . 0.0 112.763 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 p -107.12 -67.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.872 -177.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 57' ' ' ASP . 54.7 mt -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 -175.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.804 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -64.4 -22.6 67.68 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.855 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -90.45 3.61 53.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.917 0.389 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -101.57 128.58 28.69 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.316 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 51.5 Cg_exo -56.33 143.59 85.59 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.848 2.365 . . . . 0.0 112.333 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 94' ' ' LEU . 98.1 mt -57.73 -33.45 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.772 -177.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -87.74 5.44 39.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -177.607 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 84.5 tttt -115.18 -30.85 6.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.26 119.75 3.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.503 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -99.37 156.52 35.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.262 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.64 -28.22 76.73 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.074 1.849 . . . . 0.0 110.601 171.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.39 82.69 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.953 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' HB3' HD22 ' A' ' 45' ' ' LEU . 38.4 m-20 -62.11 -45.95 91.2 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.187 177.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.412 HG22 HD21 ' A' ' 82' ' ' LEU . 62.7 mt -64.46 -43.58 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.513 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.83 -41.76 98.19 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.403 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -65.17 -35.42 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.05 -49.11 76.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 43.4 m-85 -67.52 -44.88 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.736 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.25 82.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.772 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.7 m -66.96 -33.17 74.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.552 ' HB3' HD13 ' A' ' 70' ' ' LEU . 3.7 mptp? -82.32 -27.98 31.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.074 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.21 -33.42 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.56 -25.34 68.0 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.843 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 m -79.23 -14.7 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.905 0.383 . . . . 0.0 110.514 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.64 55.58 0.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.565 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 65' ' ' LYS . 40.8 mt -99.0 135.12 40.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.236 0.541 . . . . 0.0 111.745 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.6 t -67.96 144.91 97.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.974 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.62 -32.57 36.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.468 2.779 . . . . 0.0 112.963 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 p -71.24 -37.79 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.524 0.202 . . . . 0.0 111.385 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -44.82 81.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.18 0.514 . . . . 0.0 109.685 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.5 t -62.97 -34.14 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.293 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -68.23 -35.42 77.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.06 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.88 -46.52 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.461 ' HA ' HG11 ' A' ' 81' ' ' VAL . 59.9 mt -64.95 -30.45 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.593 0.711 . . . . 0.0 109.699 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.542 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 49.9 t-80 -63.17 -53.81 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.379 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.37 -41.48 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -67.04 -42.48 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.689 0.281 . . . . 0.0 111.119 -176.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.412 HD21 HG22 ' A' ' 58' ' ' ILE . 20.7 tp -71.56 -39.43 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.62 -177.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' HA ' ' CG2' ' A' ' 100' ' ' THR . 3.3 m80 -67.54 -42.17 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.296 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.66 -44.89 55.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.94 95.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.912 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.442 ' HB2' HG21 ' A' ' 100' ' ' THR . 54.1 mtt -72.41 -23.53 61.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.586 0.232 . . . . 0.0 111.398 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 58.5 m -66.51 -24.13 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.184 0.516 . . . . 0.0 110.134 176.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.84 -36.55 75.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.066 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.79 82.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.355 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -56.39 -52.69 63.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.714 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.07 -16.44 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.668 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -89.72 -9.36 49.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.3 5.32 79.82 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 50' ' ' LEU . 83.7 mt -84.26 -28.31 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.093 0.473 . . . . 0.0 110.263 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 97' ' ' GLN . 23.8 tp -120.18 129.15 53.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.099 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.749 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.3 pt? -84.6 -25.81 28.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 0.0 111.717 -172.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 48.8 mt-30 -133.6 179.67 6.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -113.21 93.67 27.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.133 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -77.69 -12.33 16.65 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 123.066 2.51 . . . . 0.0 110.934 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.442 HG21 ' HB2' ' A' ' 86' ' ' MET . 14.8 p -66.89 -58.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.18 -16.03 61.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.0 110.783 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.59 -14.48 56.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.651 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.19 98.06 9.7 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -119.38 129.24 25.49 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.084 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.437 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 53.5 Cg_exo -53.14 -48.66 20.92 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 122.961 2.441 . . . . 0.0 113.582 174.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 105' ' ' PRO . 27.7 Cg_endo -63.55 102.07 0.33 Allowed 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 121.778 1.652 . . . . 0.0 111.985 175.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -95.72 134.83 38.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.419 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 111' ' ' GLU . 33.3 m170 -121.26 104.59 40.55 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.855 173.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 108' ' ' HIS . 18.4 Cg_endo -60.44 -77.99 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.874 2.383 . . . . 0.0 112.657 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.09 92.3 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.398 . . . . 0.0 110.026 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 108' ' ' HIS . 8.9 tp10 -115.83 -82.15 0.62 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.676 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 42.91 80.47 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.183 0.927 . . . . 0.0 111.457 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 27.3 m170 -63.98 93.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -173.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 12.6 t-80 175.41 -10.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.841 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.03 -76.31 0.1 Allowed 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.398 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 m170 62.33 179.31 0.13 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.192 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.245 0.835 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.674 177.337 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.7 tt -73.95 143.76 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.216 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 64.87 79.29 0.25 Allowed Pre-proline 0 N--CA 1.464 0.264 0 O-C-N 123.658 0.599 . . . . 0.0 111.061 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -97.1 1.13 1.7 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.268 2.646 . . . . 0.0 112.297 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.22 -58.79 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.416 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.6 tttt 58.29 78.94 0.22 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.428 0.632 . . . . 0.0 110.67 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.4 mt -99.09 86.69 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.152 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 1.3 p -86.6 171.31 11.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.499 ' HA ' HD23 ' A' ' 50' ' ' LEU . 58.8 t -55.55 -54.96 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.129 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' OE2' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -69.29 -21.77 63.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.3 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' HG2' ' OE2' ' A' ' 10' ' ' GLU . 88.5 mm-40 -60.9 -49.3 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.565 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.446 ' HB3' HD11 ' A' ' 50' ' ' LEU . 84.9 t90 -77.06 -43.34 34.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.04 -48.86 79.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.57 -174.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.61 -45.02 94.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.606 0.241 . . . . 0.0 110.476 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -63.23 -51.46 66.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -57.53 -48.28 79.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.12 -53.51 56.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.57 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 m -67.82 -42.12 81.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.753 0.311 . . . . 0.0 111.809 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.1 -42.61 46.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -174.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -84.63 -30.52 24.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -172.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 22' ' ' LYS . . . -65.97 -48.27 71.84 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.718 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.651 ' HZ2' ' HB2' ' A' ' 22' ' ' LYS . 8.5 mtmp? 72.28 133.82 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.026 -178.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 7.2 Cg_exo -74.06 41.1 0.63 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.358 2.705 . . . . 0.0 111.855 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -147.21 91.6 2.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.739 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.1 mt -151.76 145.36 24.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.533 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -82.68 113.22 20.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 63.47 -154.04 0.32 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.52 0.513 . . . . 0.0 110.714 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 t 71.78 18.68 5.1 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.751 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.7 m -78.55 -36.1 45.16 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.118 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -87.89 99.21 11.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.925 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' HG3' ' HD1' ' A' ' 33' ' ' TYR . 10.8 tp10 -143.37 136.07 27.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.891 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -92.23 -26.0 18.38 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -168.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.435 ' HB2' HG23 ' A' ' 81' ' ' VAL . 3.1 p90 -64.93 -28.01 69.24 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.452 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 tt0 -60.5 -41.66 94.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -71.75 -53.29 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.3 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 33' ' ' TYR . 19.9 m -62.6 -37.22 78.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.588 -173.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' HG13 ' A' ' 41' ' ' VAL . 33.4 tp -64.05 -67.48 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.83 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HA ' HD12 ' A' ' 42' ' ' ILE . 4.7 ptp180 -56.81 -38.25 72.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.217 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.31 -38.0 87.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.66 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -100.38 -47.85 4.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 37' ' ' LEU . 8.8 p -84.8 -25.42 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -169.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 38' ' ' ARG . 1.4 mp -70.55 -50.27 14.29 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.5 -9.64 26.04 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.053 1.835 . . . . 0.0 113.642 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 45' ' ' LEU . 6.3 t -102.25 -55.57 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 -179.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD22 HD23 ' A' ' 53' ' ' LEU . 4.0 pp -125.37 5.24 7.69 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.469 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.66 -15.98 71.54 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.004 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -90.78 4.21 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 110.325 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -110.4 134.55 20.79 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.184 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.574 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 53.3 Cg_exo -53.99 139.82 70.03 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.789 2.326 . . . . 0.0 112.269 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 9' ' ' VAL . 81.0 mt -56.32 -39.42 72.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.199 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -86.79 9.09 20.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.936 0.398 . . . . 0.0 111.252 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HE2' ' HG2' ' A' ' 49' ' ' PRO . 21.3 ttmm -115.19 -9.78 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.403 0.621 . . . . 0.0 109.399 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD23 HD22 ' A' ' 45' ' ' LEU . 3.2 tm? -67.74 122.13 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.761 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -101.15 139.46 20.49 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.593 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.524 ' HB2' ' HB2' ' A' ' 102' ' ' ALA . 11.2 Cg_endo -55.57 -28.69 66.28 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.3 2.666 . . . . 0.0 112.368 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.9 70.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HA ' ' HB3' ' A' ' 60' ' ' ARG . 2.2 t70 -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.63 -42.97 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.468 0.652 . . . . 0.0 109.69 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.44 -38.36 87.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.467 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HB3' ' HA ' ' A' ' 57' ' ' ASP . 11.2 ttt180 -61.52 -38.63 88.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.248 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.6 -51.46 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.038 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.441 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 29.0 m-85 -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.19 59.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.044 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -64.61 -43.12 94.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.201 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.37 -42.79 96.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 0.0 110.143 175.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.66 -27.95 68.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.413 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -73.39 -19.19 61.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.09 20.09 5.34 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.34 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.2 tp -73.17 139.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -60.87 123.98 77.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.165 2.577 . . . . 0.0 112.652 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 p -68.05 -40.46 82.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.101 0.476 . . . . 0.0 111.01 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 78' ' ' ILE . 97.2 mtt180 -72.74 -38.05 67.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.405 ' HA ' HD11 ' A' ' 78' ' ' ILE . 8.3 p -71.58 -24.09 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.195 0.521 . . . . 0.0 110.198 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -68.63 -36.24 78.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.958 173.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -70.04 -42.62 72.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.943 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 74' ' ' ARG . 92.1 mt -57.38 -41.42 78.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.613 176.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.441 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 39.5 t-80 -56.94 -46.57 81.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 p -78.75 -34.88 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 33' ' ' TYR . 12.4 p -77.1 -34.82 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.755 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 tt -67.93 -38.54 83.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.513 ' HA ' HG22 ' A' ' 100' ' ' THR . 53.6 t-80 -55.47 -43.17 75.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.536 175.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.56 -52.8 55.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.75 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -172.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.0 tpt -70.15 -21.18 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -171.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.5 m -67.43 -19.57 65.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 110.91 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.93 -19.4 61.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.37 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 94' ' ' LEU . . . -64.63 -32.52 74.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -73.43 -35.91 65.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.107 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 t -71.89 -15.53 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.66 8.52 84.5 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.923 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 4.2 pp -83.97 -20.82 32.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.093 0.473 . . . . 0.0 110.527 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 95' ' ' LEU . 14.4 tp -124.17 132.2 53.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.729 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.3 pt? -79.44 -25.78 41.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.769 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -134.83 177.14 8.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.486 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -108.27 116.32 56.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -80.48 -11.26 13.09 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.617 2.211 . . . . 0.0 113.083 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 83' ' ' HIS . 12.4 p -76.78 -19.72 57.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 111.685 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.29 -26.96 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 0.0 110.802 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 55' ' ' PRO . . . -95.41 10.31 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.034 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.4 102.9 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HD2' ' HG3' ' A' ' 109' ' ' PRO . 44.6 mmtm -113.59 101.99 54.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.827 -176.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HB2' ' HD3' ' A' ' 106' ' ' PRO . 32.1 Cg_exo -59.57 -50.09 8.91 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.676 2.251 . . . . 0.0 113.448 170.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' A' ' 105' ' ' PRO . 95.8 Cg_endo -79.0 150.26 23.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 121.584 1.523 . . . . 0.0 112.217 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -97.83 7.6 46.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.093 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.556 ' N ' ' HD2' ' A' ' 109' ' ' PRO . 74.0 t60 -63.79 -45.89 81.79 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.695 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 108' ' ' HIS . 14.8 Cg_endo -58.74 152.49 56.27 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.683 1.589 . . . . 0.0 111.5 174.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 78.9 mt 62.56 67.18 0.72 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.15 0.5 . . . . 0.0 110.189 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.41 -13.69 52.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.056 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 68.18 29.85 5.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.283 0.564 . . . . 0.0 110.677 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -106.59 -174.44 2.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -65.38 102.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.01 0.433 . . . . 0.0 111.107 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -171.09 1.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.062 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -96.31 116.54 29.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.079 0.466 . . . . 0.0 111.085 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 . . . . . 0 C--O 1.244 0.777 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.299 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.606 0.241 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -88.43 137.54 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.909 0.385 . . . . 0.0 110.294 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -145.32 126.56 7.6 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -48.56 -65.47 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.537 2.825 . . . . 0.0 113.161 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.561 ' HA ' ' HG3' ' A' ' 49' ' ' PRO . 59.7 p 47.16 -96.35 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.545 0.738 . . . . 0.0 112.453 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 62.63 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.386 0.674 . . . . 0.0 111.291 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 tt -96.42 75.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 122.24 1.019 . . . . 0.0 109.879 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.74 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 1.8 m -99.9 170.57 8.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.03 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.523 ' H ' HG23 ' A' ' 8' ' ' THR . 41.1 t -57.38 -45.51 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.676 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.74 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -64.17 -34.75 78.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -72.15 -42.55 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.402 ' HB2' HD13 ' A' ' 50' ' ' LEU . 24.0 t90 -64.38 -52.06 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.72 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.98 -38.61 79.52 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.164 0.29 . . . . 0.0 111.001 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -59.92 -45.09 93.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -76.03 -37.6 58.2 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.575 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -51.65 -56.99 10.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.358 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 4.0 pp -69.01 -35.07 76.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.365 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.442 ' N ' HD11 ' A' ' 17' ' ' LEU . 38.7 m -70.6 -36.75 73.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.945 0.403 . . . . 0.0 111.401 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -93.6 -46.63 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.572 -174.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -94.43 1.29 55.8 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -169.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.65 -58.31 9.01 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.935 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 15.0 tptt 54.79 81.94 0.25 Allowed Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.974 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.91 -48.2 19.54 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.708 2.272 . . . . 0.0 112.397 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 66.53 -71.62 0.09 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.829 0.705 . . . . 0.0 111.076 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.4 tp -162.31 75.15 0.44 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.577 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.8 mtm105 62.97 22.91 13.73 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.646 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -101.28 93.44 5.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.33 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -165.93 95.44 0.6 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.462 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -131.6 148.92 52.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.22 -177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 61.3 m95 58.91 59.18 2.91 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.135 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.75 9.92 41.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -59.47 -21.36 59.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.565 -173.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.421 ' HB2' HG22 ' A' ' 81' ' ' VAL . 50.5 p90 -71.97 -20.11 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.249 -0.282 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 38' ' ' ARG . 14.7 tm-20 -71.77 -32.54 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -63.6 -56.01 19.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.765 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.93 -37.36 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.733 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 41' ' ' VAL . 70.7 mt -59.18 -66.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.975 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HB2' HD13 ' A' ' 42' ' ' ILE . 8.0 ptp180 -59.78 -33.94 72.36 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -176.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.72 -34.79 78.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.321 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.409 ' O ' HG21 ' A' ' 44' ' ' THR . 78.9 m80 -100.09 -45.28 5.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 37' ' ' LEU . 11.6 p -80.73 -37.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.554 HD13 ' HB2' ' A' ' 38' ' ' ARG . 47.2 mt -66.52 -50.3 47.65 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 29.7 Cg_exo -63.34 -30.81 73.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.802 1.668 . . . . 0.0 113.847 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.565 HG23 HD12 ' A' ' 45' ' ' LEU . 7.0 t -107.26 -22.97 12.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -171.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.767 ' HG ' HD12 ' A' ' 48' ' ' ILE . 5.4 mp -127.52 23.48 6.32 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.25 3.36 58.65 Favored Glycine 0 C--N 1.329 0.151 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.838 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -106.02 8.44 32.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.446 0.641 . . . . 0.0 109.532 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.767 HD12 ' HG ' ' A' ' 45' ' ' LEU . 62.6 mt -117.68 115.44 37.25 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.055 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.681 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 23.8 Cg_exo -62.99 154.53 66.42 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.967 2.445 . . . . 0.0 111.786 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 12' ' ' TRP . 84.2 mt -57.18 -37.3 71.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.739 -176.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -88.6 3.49 50.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.338 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.681 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 50.5 tttp -105.2 -15.91 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 HD11 HD13 ' A' ' 58' ' ' ILE . 2.9 tm? -63.57 105.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.815 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 13.8 mm100 -105.57 160.91 24.45 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.083 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.04 -29.91 67.45 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.698 2.266 . . . . 0.0 112.177 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . . . -67.56 -28.75 68.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 111.071 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.42 -30.49 42.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.132 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 99' ' ' PRO . 59.1 mt -74.33 -38.75 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.879 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 10.7 pt20 -66.84 -32.25 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.963 176.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -58.02 -42.5 85.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.37 -58.08 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.93 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.8 m-85 -57.81 -48.75 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.735 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.16 86.09 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -61.47 -35.73 78.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.981 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.851 ' HB3' HD13 ' A' ' 70' ' ' LEU . 10.0 mptt -88.23 -29.61 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.723 -177.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.19 -28.59 69.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.882 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.3 m -72.67 -12.85 61.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.5 13.39 7.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.426 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.851 HD13 ' HB3' ' A' ' 65' ' ' LYS . 42.4 mt -73.77 142.8 46.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.228 0.514 . . . . 0.0 110.525 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -83.54 149.01 56.61 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.17 -30.51 41.72 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.943 2.428 . . . . 0.0 112.764 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -70.98 -44.41 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.55 ' HG2' HD22 ' A' ' 70' ' ' LEU . 10.8 tpp180 -60.56 -45.42 93.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 -36.16 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.917 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.01 -38.0 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.906 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.61 -49.38 75.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.181 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.5 ' HA ' HG13 ' A' ' 81' ' ' VAL . 37.2 mm -53.81 -37.79 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.072 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.591 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 54.2 t-80 -62.26 -43.83 97.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 83' ' ' HIS . 61.9 t -69.47 -46.17 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.065 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 78' ' ' ILE . 8.3 p -69.99 -31.07 46.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.206 -177.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.5 tp -69.31 -33.19 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.242 0.544 . . . . 0.0 109.578 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 44.6 t-80 -60.55 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.846 174.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.81 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.681 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.51 -51.76 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.457 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -33.03 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.056 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.7 m -64.46 -41.79 96.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.539 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -61.96 -41.62 98.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.121 0.486 . . . . 0.0 110.268 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.604 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 15.0 ttp180 -54.63 -54.63 38.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.121 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.53 9.24 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.872 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -117.7 7.88 12.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.213 0.53 . . . . 0.0 109.786 173.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 12.93 83.35 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.847 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.21 -17.48 23.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.411 . . . . 0.0 110.572 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.604 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 24.2 tp -142.34 125.37 16.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.375 177.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.608 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.5 pt? -79.57 -18.64 51.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -133.32 168.71 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.603 0.24 . . . . 0.0 111.165 -174.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.17 95.46 15.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.63 0.729 . . . . 0.0 109.706 169.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.451 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 13.0 Cg_exo -69.76 -21.2 33.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.771 2.314 . . . . 0.0 112.62 -172.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.3 p -62.64 -37.37 86.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.712 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.26 -18.98 61.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.24 -6.68 19.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.95 96.71 10.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.401 0.619 . . . . 0.0 110.781 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -130.53 129.19 22.72 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.573 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 25.5 Cg_exo -62.78 112.38 1.62 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.444 2.096 . . . . 0.0 111.657 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 1.2 Cg_endo -83.81 150.68 12.75 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.052 2.501 . . . . 0.0 112.035 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -83.4 -162.35 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.509 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 60.96 65.0 2.11 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -176.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -55.06 -66.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.75 2.967 . . . . 0.0 114.77 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 110' ' ' LEU . 3.1 mm? 62.29 90.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.839 -166.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.452 ' C ' ' H ' ' A' ' 113' ' ' HIS . 2.0 mp0 -60.71 159.78 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.165 -177.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -78.65 37.01 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.783 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.452 ' H ' ' C ' ' A' ' 111' ' ' GLU . 60.8 m-70 67.15 -70.18 0.12 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.351 -173.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -145.19 130.89 18.97 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -73.55 -61.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.87 -175.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.7 t60 67.2 119.34 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.956 0.785 . . . . 0.0 111.431 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 31.1 t60 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.983 177.161 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.5 pt -132.18 3.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.355 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 36.77 71.98 0.87 Allowed Pre-proline 0 N--CA 1.472 0.627 0 O-C-N 124.01 0.819 . . . . 0.0 111.83 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -85.87 -170.87 0.77 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.649 2.232 . . . . 0.0 112.408 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -62.26 128.08 34.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -84.85 152.79 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.87 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.9 mt 65.45 79.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 110.168 -175.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -122.61 -169.79 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.755 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.527 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 64.1 t -58.13 -49.01 83.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -34.49 76.1 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.67 -172.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -66.77 -43.06 85.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.884 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.467 ' HE3' HD22 ' A' ' 13' ' ' LEU . 21.8 t90 -65.68 -51.08 62.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.467 HD22 ' HE3' ' A' ' 12' ' ' TRP . 4.5 mm? -63.84 -45.58 88.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.421 HD21 ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -58.18 -36.91 73.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.059 -179.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -65.52 -46.52 79.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.619 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.7 t-105 -56.6 -45.5 81.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 17' ' ' LEU . 3.6 mm? -65.33 -40.41 93.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.393 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.524 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 11.9 m -80.22 -28.31 38.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.893 0.377 . . . . 0.0 111.633 -175.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -73.73 -34.91 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.126 0.489 . . . . 0.0 110.242 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.42 7.11 42.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.042 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 18' ' ' THR . . . -44.01 -37.62 3.07 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -94.54 102.57 9.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 69.3 Cg_endo -92.05 -173.01 0.45 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.143 2.562 . . . . 0.0 113.473 -172.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -106.74 -146.55 0.4 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 25' ' ' LEU . 5.7 mp -95.62 -146.6 0.28 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 60.66 44.12 11.75 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.495 0.664 . . . . 0.0 109.65 -172.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -76.82 53.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.309 -174.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.2 m -93.63 -9.67 37.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.295 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -127.86 155.7 43.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.663 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -132.89 -175.91 3.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -85.38 21.1 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.387 -174.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 m -63.48 -40.09 96.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.752 0.311 . . . . 0.0 111.659 -176.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -74.11 -17.39 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.643 0.258 . . . . 0.0 111.213 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -79.07 -30.16 43.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 m -61.49 -59.5 5.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.308 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.534 HG23 ' HE2' ' A' ' 77' ' ' TYR . 29.1 m -61.41 -36.1 70.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.035 0.445 . . . . 0.0 110.859 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 41' ' ' VAL . 24.8 tp -65.3 -56.95 9.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.353 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.654 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -61.06 -38.98 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.656 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.93 -41.63 91.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.008 -172.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -92.24 -48.8 6.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 37' ' ' LEU . 14.8 p -100.49 -20.5 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.654 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.5 mp -69.91 -49.85 18.69 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.844 -0.535 . . . . 0.0 112.094 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 6.6 Cg_exo -75.55 -5.0 16.04 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.073 1.849 . . . . 0.0 112.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -107.09 -67.29 0.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.822 0.344 . . . . 0.0 111.69 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.68 3.18 34.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 0.0 110.799 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.527 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -65.28 -27.42 72.4 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.057 -178.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 m -95.74 23.93 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.039 0.447 . . . . 0.0 111.112 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 9' ' ' VAL . 68.3 mt -118.69 131.87 24.11 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.56 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.47 144.83 90.97 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.625 2.217 . . . . 0.0 112.099 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -83.29 -17.58 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.499 177.492 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -99.35 -16.67 18.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.84 HD13 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -59.83 121.02 10.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -109.0 146.6 34.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.731 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.03 -27.95 86.01 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.739 2.293 . . . . 0.0 111.75 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.94 -47.23 77.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.33 -29.53 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.299 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.84 HD11 HD13 ' A' ' 53' ' ' LEU . 59.8 mt -69.16 -47.53 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.382 . . . . 0.0 110.221 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.36 -37.61 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.215 0.531 . . . . 0.0 109.79 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -59.72 -45.48 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.737 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.63 -50.87 64.78 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.94 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.412 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 35.9 m-85 -61.07 -54.39 45.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.106 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.68 99.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.825 -173.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 67' ' ' GLU . 38.6 t -66.81 -44.98 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.677 -176.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -87.6 -21.44 25.35 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.136 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 65.6 tp -63.56 -31.95 73.27 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 167.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 64' ' ' SER . 30.0 tt0 -73.25 -35.66 66.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.723 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -66.07 -39.06 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.17 42.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.631 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.734 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 62.6 mt -99.13 156.22 17.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.087 0.443 . . . . 0.0 110.683 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -95.69 147.81 33.59 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.747 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.42 -36.55 88.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.849 2.366 . . . . 0.0 112.042 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.57 -37.22 84.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.645 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.8 tpt180 -73.82 -36.98 65.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.626 HG23 HD13 ' A' ' 66' ' ' LEU . 86.8 t -63.25 -41.88 94.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.718 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.534 ' HE2' HG23 ' A' ' 36' ' ' VAL . 85.7 t80 -59.85 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 74' ' ' ARG . 76.0 mt -59.33 -40.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.412 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 26.8 t-80 -62.84 -46.89 85.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.083 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.17 -34.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.42 -39.66 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 100' ' ' THR . 51.9 tp -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 177.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.592 ' CD2' ' HB2' ' A' ' 101' ' ' GLU . 53.2 t-80 -59.61 -48.31 82.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.408 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.74 -50.46 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.433 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 88' ' ' GLN . . . -68.01 -32.15 72.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.677 -173.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.488 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 54.3 ttm -78.07 -19.2 54.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.38 . . . . 0.0 110.725 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 74.4 m -61.02 -38.75 87.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.324 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 85' ' ' ALA . 12.8 pt20 -65.35 -25.67 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.034 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 94' ' ' LEU . . . -75.35 -37.41 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 61.1 ttp180 -65.37 -49.88 67.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.964 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 87' ' ' SER . 13.3 mm-40 -63.41 -29.82 71.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.958 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -65.65 -22.69 66.67 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.783 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.0 -15.69 51.25 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.683 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 89' ' ' ALA . 4.2 pp -74.91 -18.99 60.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 0.0 110.111 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.499 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 40.0 tp -130.14 132.74 46.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.614 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.644 HD21 ' H ' ' A' ' 96' ' ' LEU . 1.1 pt? -96.9 -28.63 14.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.731 0.3 . . . . 0.0 111.528 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.571 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 47.8 mt-30 -110.43 153.2 25.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.639 -175.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -110.23 94.62 18.85 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.503 ' HG2' HD12 ' A' ' 53' ' ' LEU . 7.2 Cg_exo -74.26 -18.79 20.42 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.183 2.589 . . . . 0.0 113.169 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 82' ' ' LEU . 78.8 p -63.81 -40.23 96.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 0.0 111.315 -176.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.592 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 10.8 tt0 -85.31 -24.59 27.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.437 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.3 63.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.616 0.722 . . . . 0.0 109.724 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.35 95.92 10.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.307 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 33.0 ttpt -129.89 98.0 22.67 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.474 ' O ' ' HD3' ' A' ' 107' ' ' ARG . 39.2 Cg_endo -69.19 116.57 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.126 1.884 . . . . 0.0 110.855 173.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.78 101.66 1.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.849 2.366 . . . . 0.0 113.059 -175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -93.34 113.62 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 171.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -130.14 79.71 72.29 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -172.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.81 -15.62 18.91 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.683 2.256 . . . . 0.0 110.594 169.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.78 107.71 4.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.692 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -88.61 130.03 35.37 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.39 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -132.18 6.45 4.2 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -91.47 10.81 26.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.836 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -98.88 142.62 30.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -63.92 123.38 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.496 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -131.61 -164.22 1.42 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.449 -170.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.867 -179.167 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.628 0.251 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.2 mm 61.83 93.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.485 0.66 . . . . 0.0 110.65 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -81.96 152.7 69.05 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.497 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.16 124.89 17.26 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.401 2.067 . . . . 0.0 111.243 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p -75.93 156.05 34.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.869 0.366 . . . . 0.0 111.202 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 33.4 ttmt -71.5 96.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.938 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.575 ' CG1' ' HB3' ' A' ' 49' ' ' PRO . 9.1 tt -124.48 -46.63 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.134 -173.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.561 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m -80.38 145.82 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.686 0.279 . . . . 0.0 110.947 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.493 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 46.9 t -70.45 -51.55 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.329 -175.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -20.97 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 111.563 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.848 HE21 ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -68.78 -54.41 16.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.969 -179.004 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 65.1 p-90 -76.55 -22.64 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.411 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -45.75 91.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.206 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.48 -48.24 82.39 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -66.13 -38.81 89.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -55.03 -57.18 12.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.61 -27.92 68.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.259 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.0 m -74.56 -47.61 31.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.099 0.476 . . . . 0.0 111.09 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.36 -47.17 35.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.438 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -71.48 -21.19 61.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.139 -175.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -21.62 66.63 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.027 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.745 ' HB3' ' HZ3' ' A' ' 22' ' ' LYS . 7.0 ttpm? 68.08 92.86 0.06 OUTLIER Pre-proline 0 C--O 1.232 0.138 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.986 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.33 1.12 5.12 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.19 2.593 . . . . 0.0 113.026 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -76.94 -20.19 56.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.343 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 mt -128.24 152.27 48.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.84 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -94.09 124.56 38.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.977 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 65.54 101.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.789 0.681 . . . . 0.0 111.826 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t -86.84 -72.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.797 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 p -150.65 157.66 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.852 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -98.16 86.44 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.976 0.893 . . . . 0.0 110.247 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -76.44 107.01 8.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.756 -177.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 p -68.7 -38.71 80.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.122 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.572 ' HA ' HG23 ' A' ' 36' ' ' VAL . 22.7 p90 -68.16 -15.13 63.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -64.61 -42.59 95.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 110.146 174.251 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 m -75.91 -48.61 20.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.915 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.572 HG23 ' HA ' ' A' ' 33' ' ' TYR . 18.9 m -56.38 -37.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.419 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.0 tp -61.89 -66.3 0.56 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.52 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.623 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 29.6 ptt85 -62.83 -30.63 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.631 -175.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.95 -34.96 78.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.542 0.21 . . . . 0.0 111.558 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -99.53 -41.25 7.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -174.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 37' ' ' LEU . 12.8 p -100.42 -25.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -171.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.623 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -66.07 -43.27 56.04 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.762 -0.586 . . . . 0.0 112.255 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 16.5 Cg_exo -70.61 -13.84 32.89 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 112.688 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.428 ' HB ' HD22 ' A' ' 45' ' ' LEU . 16.8 p -107.39 -68.2 0.91 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.428 HD22 ' HB ' ' A' ' 44' ' ' THR . 2.6 mm? -103.39 -7.16 21.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.797 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -65.73 -21.4 69.17 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 113.433 -175.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -98.3 9.02 44.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 110.027 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.6 mt -106.28 129.39 24.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.231 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.575 ' HB3' ' CG1' ' A' ' 7' ' ' ILE . 9.8 Cg_endo -54.13 137.01 69.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 123.13 2.553 . . . . 0.0 112.715 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.23 -26.88 61.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.456 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -77.65 -17.85 57.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.3 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 62.6 tttp -115.7 -3.06 12.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 0.0 110.404 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.86 HD12 HD11 ' A' ' 58' ' ' ILE . 3.2 tm? -65.43 119.9 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.803 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -106.68 138.79 19.87 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.083 -177.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.94 -30.51 91.91 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.069 2.513 . . . . 0.0 112.482 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.14 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.78 -25.67 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.157 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.86 HD11 HD12 ' A' ' 53' ' ' LEU . 73.2 mt -69.34 -47.99 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.166 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -65.46 -37.37 86.68 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -55.5 -45.49 77.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.556 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.79 -48.68 74.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.583 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 31.1 m-85 -62.91 -45.32 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.722 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.86 87.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.057 0.456 . . . . 0.0 111.086 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -65.82 -35.58 81.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.047 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.97 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.785 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.472 ' OE1' ' HA ' ' A' ' 115' ' ' HIS . 42.6 mt-10 -66.65 -20.91 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.165 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.6 t -76.22 -42.54 45.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.382 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.86 43.84 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.03 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 mt -99.14 139.84 34.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.36 . . . . 0.0 110.508 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -83.65 146.12 49.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.41 -39.87 16.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.608 2.872 . . . . 0.0 113.457 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -64.69 -44.31 90.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.076 0.465 . . . . 0.0 111.133 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -66.24 -38.79 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.282 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.38 -43.32 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.809 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.29 -23.59 64.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.61 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.42 ' HA ' HG13 ' A' ' 80' ' ' VAL . 35.7 t80 -70.97 -46.89 61.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.4 ' HA ' HG12 ' A' ' 81' ' ' VAL . 43.7 mm -59.36 -34.44 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.515 0.674 . . . . 0.0 110.33 174.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.583 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.7 t-80 -67.81 -42.27 81.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.071 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' A' ' 77' ' ' TYR . 7.7 p -79.73 -29.47 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.537 -174.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 33' ' ' TYR . 11.1 p -73.08 -39.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.465 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' A' ' 100' ' ' THR . 31.8 tp -70.61 -31.61 68.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.297 0.57 . . . . 0.0 109.515 176.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.707 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -66.32 -51.57 55.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.91 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.78 69.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.116 -175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.431 ' HE2' HD11 ' A' ' 82' ' ' LEU . 61.3 mtt -74.55 -17.35 60.75 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -69.44 -35.56 75.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 109.969 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.26 -40.23 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.37 85.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 53.7 ttp85 -59.13 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.808 176.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.24 -2.56 45.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.995 0.426 . . . . 0.0 111.189 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.4 t -95.09 -3.94 47.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.097 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.03 20.4 65.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -94.17 -27.45 16.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.11 0.481 . . . . 0.0 110.103 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 20.8 tp -142.87 139.98 31.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.455 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.74 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.9 pt? -92.38 -14.94 27.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -174.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.544 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.6 mt-30 -133.69 178.07 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -120.6 96.29 48.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.773 0.797 . . . . 0.0 110.548 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.31 -19.64 19.45 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.831 2.354 . . . . 0.0 112.885 -174.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.608 HG21 ' HG ' ' A' ' 82' ' ' LEU . 5.0 p -71.28 -33.65 69.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.973 0.416 . . . . 0.0 111.399 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -82.98 -26.08 31.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -20.37 59.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.244 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.05 92.61 9.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.637 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' HG3' ' HD3' ' A' ' 106' ' ' PRO . 17.8 ptpt -131.31 153.86 81.78 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.765 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -103.18 82.89 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.322 2.681 . . . . 0.0 112.961 172.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.429 ' HD3' ' HG3' ' A' ' 104' ' ' LYS . 69.0 Cg_endo -80.9 -30.82 1.59 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.953 1.769 . . . . 0.0 110.911 174.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -146.77 -77.6 0.18 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.959 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.5 t60 49.37 94.3 0.05 OUTLIER Pre-proline 0 N--CA 1.469 0.483 0 O-C-N 124.116 0.885 . . . . 0.0 111.956 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -62.23 164.5 17.2 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.621 2.214 . . . . 0.0 111.759 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.93 94.77 8.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.308 0.575 . . . . 0.0 109.962 -176.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -123.88 176.72 6.14 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.967 -176.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.6 m170 73.81 -49.65 0.68 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.259 0.623 . . . . 0.0 111.747 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -162.18 154.53 19.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.69 0.281 . . . . 0.0 110.735 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -84.55 -35.72 22.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.472 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 72.1 t60 -162.32 126.25 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.603 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -99.38 149.0 23.61 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 174.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.92 -179.339 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.903 0.383 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.9 pt -98.32 -166.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.459 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -95.81 122.66 58.09 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.908 0.385 . . . . 0.0 110.729 -178.688 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.3 122.16 9.8 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.646 2.231 . . . . 0.0 111.306 177.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -73.29 87.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.451 0.643 . . . . 0.0 111.435 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -91.49 121.99 33.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.918 172.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.8 mm -58.14 110.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.59 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -84.53 154.95 22.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.424 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.626 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 81.2 t -60.2 -38.79 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.673 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.505 ' HB3' HG22 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -74.42 -30.34 61.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.807 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.2 -47.76 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -61.57 -44.64 96.65 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.669 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -59.49 -47.25 86.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.529 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.84 -44.0 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.1 0.476 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -62.99 -46.56 87.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.102 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' HZ2' ' HB3' ' A' ' 88' ' ' GLN . 64.9 t-105 -57.87 -51.77 68.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.686 -177.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.473 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.6 pp -63.3 -27.82 69.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.31 . . . . 0.0 110.956 -177.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 m -77.81 -38.39 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.438 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.13 -35.99 41.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.318 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -99.7 5.81 45.68 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -54.32 -52.14 62.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.501 0.191 . . . . 0.0 110.82 175.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.6 tptt 56.68 79.8 0.31 Allowed Pre-proline 0 CA--C 1.534 0.354 0 O-C-N 123.875 0.734 . . . . 0.0 110.568 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -80.56 29.77 0.51 Allowed 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.758 2.972 . . . . 0.0 113.231 -173.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -89.08 -61.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.907 0.384 . . . . 0.0 110.166 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HG ' ' HD3' ' A' ' 26' ' ' ARG . 39.8 tp -121.95 118.34 28.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.472 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.445 ' HD3' ' HG ' ' A' ' 25' ' ' LEU . 2.6 mpt_? 66.62 88.67 0.11 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.101 177.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.452 HE21 ' HB2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -81.14 123.29 28.3 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.218 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 p -86.9 -106.26 0.06 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.659 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 30' ' ' TRP . 4.1 m 62.24 172.5 0.13 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.595 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.433 ' H ' HG23 ' A' ' 29' ' ' THR . 78.6 m95 72.73 -34.9 0.31 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 171.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.15 149.04 20.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.491 0.663 . . . . 0.0 112.647 -175.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 m -69.29 -12.02 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.746 -173.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.455 ' HB2' HG21 ' A' ' 81' ' ' VAL . 4.6 p90 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 tp10 -65.28 -44.81 86.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -66.42 -53.34 36.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.604 -176.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -61.65 -38.11 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 120.715 0.293 . . . . 0.0 111.652 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.502 ' O ' HG13 ' A' ' 41' ' ' VAL . 22.5 tp -61.22 -63.95 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 -177.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.676 ' HB3' HD12 ' A' ' 42' ' ' ILE . 11.3 ptp180 -63.41 -38.53 91.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.816 -176.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.63 -37.95 80.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -100.6 -51.65 3.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 37' ' ' LEU . 8.7 p -101.17 -17.85 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.676 HD12 ' HB3' ' A' ' 38' ' ' ARG . 2.1 mt -71.36 -48.19 12.93 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -174.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.644 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 4.1 Cg_exo -77.47 -6.68 16.48 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.742 1.628 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.475 HG22 ' HE3' ' A' ' 65' ' ' LYS . 20.6 p -100.93 -67.23 0.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.527 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.1 mt -93.45 3.21 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 0.0 111.011 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.626 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -69.2 -12.44 65.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.417 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -95.76 2.0 53.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.863 0.363 . . . . 0.0 110.516 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.3 mt -105.33 119.1 54.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.193 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.56 139.42 75.63 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.671 2.247 . . . . 0.0 112.074 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' HB3' HD23 ' A' ' 95' ' ' LEU . 86.6 mt -57.66 -33.77 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.009 -175.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.69 -1.91 52.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -107.77 -33.26 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.58 118.23 2.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.272 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -109.28 161.68 22.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.511 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.07 -31.86 91.49 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.738 2.292 . . . . 0.0 112.131 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.12 96.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.204 0.526 . . . . 0.0 110.099 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.441 HG22 ' CE2' ' A' ' 62' ' ' TYR . 52.4 mt -67.91 -43.52 85.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.004 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.363 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -57.82 -42.38 84.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.441 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD21 ' HD3' ' A' ' 65' ' ' LYS . 2.9 tm? -57.07 -54.93 41.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.967 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.496 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 21.7 m-85 -58.89 -46.6 87.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.27 -50.7 71.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.441 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.7 t -65.57 -38.71 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' HE3' HG22 ' A' ' 44' ' ' THR . 3.7 mptp? -78.12 -36.69 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.44 -177.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.711 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 62.1 tp -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.75 -30.87 69.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.057 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 t -76.8 -10.03 59.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.65 51.66 0.41 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.115 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.711 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 29.3 mt -98.65 152.29 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.603 0.24 . . . . 0.0 110.379 174.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.426 ' HB3' ' HD3' ' A' ' 74' ' ' ARG . 9.3 t -90.32 136.2 28.79 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.63 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 76.7 Cg_exo -51.3 -33.45 45.56 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.089 2.526 . . . . 0.0 112.832 -176.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -60.42 -44.8 95.4 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.365 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.59 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.1 mpt_? -71.36 -39.57 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.221 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.564 HG21 HD11 ' A' ' 66' ' ' LEU . 52.4 t -56.12 -39.78 60.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 123.36 0.413 . . . . 0.0 110.381 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 68.5 mtt-85 -63.29 -45.54 90.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.515 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.94 -35.27 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.016 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 74' ' ' ARG . 73.0 mt -61.72 -34.7 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.883 0.373 . . . . 0.0 110.189 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.496 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 62.9 t-80 -67.21 -40.43 86.43 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 76' ' ' ARG . 84.5 t -64.32 -51.81 63.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 78' ' ' ILE . 10.2 p -65.81 -37.13 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.154 -177.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.24 -42.27 93.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' O ' ' HB3' ' A' ' 87' ' ' SER . 12.3 t-80 -64.68 -42.82 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.002 176.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.06 -52.65 64.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.389 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 -44.05 63.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.5 tpp -80.45 -13.19 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.56 ' HA ' ' OD1' ' A' ' 98' ' ' ASN . 79.8 p -63.66 -35.08 79.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.022 0.439 . . . . 0.0 110.34 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.486 ' HB3' ' HZ2' ' A' ' 16' ' ' TRP . 15.1 mm100 -62.98 -29.98 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' A' ' 94' ' ' LEU . . . -63.97 -42.86 97.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.282 0.563 . . . . 0.0 110.275 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 97' ' ' GLN . 16.0 ttp180 -68.96 -45.68 70.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.587 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -73.3 -12.49 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.61 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.3 t -85.36 -34.4 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.74 25.73 6.74 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.751 -0.738 . . . . 0.0 113.195 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.688 HD13 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -106.19 -16.6 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.052 0.454 . . . . 0.0 110.17 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -118.53 132.69 56.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.562 176.595 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.41 -51.13 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.483 0.489 . . . . 0.0 110.68 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 11.4 pt20 -147.86 176.0 10.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.399 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.56 ' OD1' ' HA ' ' A' ' 87' ' ' SER . 3.6 m120 -102.0 110.87 63.4 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -63.07 -10.77 21.9 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.024 2.483 . . . . 0.0 112.595 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 p -66.83 -27.44 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.21 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 98' ' ' ASN . 2.4 mm-40 -75.74 -24.79 56.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.305 0.574 . . . . 0.0 110.312 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.437 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . . . -103.12 5.35 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.645 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.03 101.76 12.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.109 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -104.37 129.97 24.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -176.827 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 104' ' ' LYS . 3.4 Cg_exo -81.47 152.73 17.86 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.946 2.431 . . . . 0.0 111.402 173.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -71.49 82.22 1.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.323 2.015 . . . . 0.0 112.432 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -69.9 -36.18 75.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.159 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -136.53 82.04 34.51 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.463 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.0 -13.81 13.93 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.853 2.369 . . . . 0.0 112.409 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.46 50.33 1.98 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -78.47 154.5 30.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.241 0.543 . . . . 0.0 111.71 -170.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -122.39 -33.24 3.49 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.03 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -154.29 131.04 10.77 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.61 0.243 . . . . 0.0 110.551 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -126.95 111.2 13.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.993 0.425 . . . . 0.0 110.455 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -104.43 -13.53 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -65.71 -65.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.098 0.475 . . . . 0.0 110.033 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.296 174.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.511 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 49.0 ttm . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.979 0.419 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.511 ' HB ' ' O ' ' A' ' 1' ' ' MET . 14.1 tt 168.51 157.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.778 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 30.8 mp0 -58.12 120.84 46.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.653 0.263 . . . . 0.0 110.614 176.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 6.0 Cg_exo -79.4 -4.58 13.76 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 123.153 2.569 . . . . 0.0 112.052 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -101.65 92.34 4.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.406 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -108.17 127.46 53.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 0.0 110.368 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.401 ' H ' HG12 ' A' ' 7' ' ' ILE . 6.9 pt -73.27 167.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.501 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.0 p -74.09 169.23 17.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.652 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.875 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 57.2 t -51.76 -52.0 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.335 -173.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.11 -28.5 69.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.632 0.253 . . . . 0.0 111.316 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -75.39 -49.92 17.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.754 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 53.3 p-90 -73.29 -31.8 64.25 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -68.43 -34.94 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.136 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.11 -41.91 93.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.533 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.48 -36.93 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -55.33 -50.35 69.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.944 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 3.0 mm? -58.56 -35.94 73.14 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.759 175.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.6 m -68.85 -49.79 55.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.6 -30.83 64.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -100.31 7.02 44.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -65.32 5.76 0.36 Allowed 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -177.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 3.8 ttmp? -68.54 109.59 4.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 117.858 0.299 . . . . 0.0 110.678 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 3.2 Cg_endo -84.63 93.75 0.71 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.957 2.438 . . . . 0.0 112.053 -177.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -124.8 -10.9 7.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.402 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -146.46 132.23 18.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.216 -176.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -40.31 3.69 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.86 -67.54 0.25 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.551 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.7 p -131.64 -52.57 1.0 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 0.0 111.208 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 p -123.91 -78.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 66.98 163.67 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -171.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 72.69 -61.33 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.97 0.508 . . . . 0.0 111.261 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 m -67.75 -3.03 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -170.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -78.11 -20.78 51.51 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 6.9 tp10 -60.78 -60.97 2.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.977 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -53.7 -62.1 1.87 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.102 -174.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.1 m -56.27 -43.38 76.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 41' ' ' VAL . 25.0 tp -64.42 -62.37 1.64 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.668 -175.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.575 ' HA ' HD11 ' A' ' 42' ' ' ILE . 12.9 ptm85 -64.82 -37.8 88.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.26 -37.87 81.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.626 0.25 . . . . 0.0 111.577 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -97.54 -55.46 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 37' ' ' LEU . 7.4 p -87.27 -27.66 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.575 HD11 ' HA ' ' A' ' 38' ' ' ARG . 1.3 mp -66.61 -47.43 56.79 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 74.3 Cg_endo -73.49 -15.67 24.67 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 121.534 1.489 . . . . 0.0 113.148 -177.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.773 HG21 ' HG ' ' A' ' 45' ' ' LEU . 14.7 t -107.42 -42.12 4.89 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.773 ' HG ' HG21 ' A' ' 44' ' ' THR . 85.1 mt -121.95 -9.68 8.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.402 -175.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.875 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -67.69 -13.87 64.18 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.522 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -98.41 5.78 47.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.82 0.343 . . . . 0.0 110.458 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -110.4 133.18 21.18 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.07 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.23 142.99 86.81 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.822 2.348 . . . . 0.0 112.653 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.34 -27.62 67.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.022 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -79.35 1.16 26.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.51 . . . . 0.0 110.636 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -118.73 7.83 11.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.736 HD12 HD13 ' A' ' 58' ' ' ILE . 2.7 tm? -81.5 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.722 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -112.74 149.62 41.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.649 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 13.4 Cg_endo -57.53 -34.76 98.55 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.893 2.395 . . . . 0.0 112.447 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.75 70.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.07 -38.51 61.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.846 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.736 HD13 HD12 ' A' ' 53' ' ' LEU . 60.9 mt -66.19 -36.7 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.077 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.08 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.818 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -62.88 -41.93 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.563 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -49.15 -60.93 2.37 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.61 0.569 . . . . 0.0 109.598 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.85 -50.38 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.222 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.77 77.52 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -64.5 -36.12 83.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.201 -174.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -86.92 -20.95 26.62 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.848 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.03 -27.44 68.11 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.149 176.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.06 -31.57 52.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.274 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -79.75 -21.65 44.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.07 56.43 0.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.581 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.1 mt -77.8 130.78 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.607 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 7.3 m -68.29 138.77 91.93 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 172.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.94 -27.87 75.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.774 2.316 . . . . 0.0 111.833 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 p -63.21 -41.76 99.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.982 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.607 ' HG3' ' HB2' ' A' ' 71' ' ' SER . 33.6 mtt180 -66.01 -49.61 67.16 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.49 -44.3 84.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.776 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.47 ' O ' HG21 ' A' ' 80' ' ' VAL . 21.4 ttt180 -61.09 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.682 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -64.0 -45.31 89.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.168 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 74' ' ' ARG . 63.1 mt -60.59 -39.33 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.309 0.576 . . . . 0.0 109.972 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -65.5 -37.5 86.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.934 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 76' ' ' ARG . 96.8 t -73.49 -49.7 34.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.353 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.92 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.7 0.286 . . . . 0.0 111.016 -176.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.12 -37.7 81.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -54.07 -48.68 70.38 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.17 -54.58 42.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.471 0.482 . . . . 0.0 110.926 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.21 99.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.48 -28.69 68.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.525 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -64.87 -36.81 85.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.593 0.235 . . . . 0.0 110.742 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.5 -36.02 78.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.795 ' HB3' HD11 ' A' ' 94' ' ' LEU . . . -69.11 -40.38 78.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.388 0.613 . . . . 0.0 110.066 173.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 13.1 ttt-85 -57.54 -48.65 78.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.832 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.87 -8.79 57.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.332 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -84.12 -9.87 58.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.23 7.36 83.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.882 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 89' ' ' ALA . 4.7 pp -95.66 -13.48 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 15.7 tp -124.33 145.23 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.962 -177.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.36 -49.33 64.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.279 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.554 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 3.6 pt20 -152.76 -171.01 3.8 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.078 -174.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -100.32 98.84 8.43 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.987 0.422 . . . . 0.0 109.909 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 16.7 Cg_exo -67.93 -15.9 44.46 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.975 2.45 . . . . 0.0 111.842 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.4 m -61.92 -47.22 85.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.107 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.36 -20.2 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.83 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.06 -24.36 60.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.388 0.613 . . . . 0.0 109.481 173.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.56 104.41 16.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.006 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -109.46 127.4 27.26 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.353 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 16.8 Cg_exo -67.97 148.05 75.32 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.83 2.354 . . . . 0.0 111.911 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 25.4 Cg_exo -63.39 152.17 81.33 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.629 2.219 . . . . 0.0 111.743 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 107' ' ' ARG . 35.6 mmt-85 69.64 17.35 7.86 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.375 178.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -107.99 100.34 35.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.384 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -92.08 -150.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 123.022 2.481 . . . . 0.0 110.862 173.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.3 mt 65.29 31.03 10.9 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.482 0.658 . . . . 0.0 110.773 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -24.62 52.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.204 174.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -94.58 114.05 25.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 168.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -145.29 132.15 20.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.073 0.463 . . . . 0.0 112.07 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -91.66 83.71 5.36 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -122.21 112.15 17.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.097 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -88.67 99.68 12.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.36 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.492 -0.765 . . . . 0.0 109.23 178.502 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.693 ' HG2' ' H ' ' A' ' 2' ' ' ILE . 13.6 ttt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.693 ' H ' ' HG2' ' A' ' 1' ' ' MET . 7.4 pt -76.57 71.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.581 0.705 . . . . 0.0 112.291 -176.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -149.72 87.43 5.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.774 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -97.82 36.5 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.832 3.021 . . . . 0.0 112.741 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -30.71 68.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.574 ' HD3' HD22 ' A' ' 94' ' ' LEU . 5.1 pttp -104.21 33.41 3.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.361 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -74.44 -30.35 25.72 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.2 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -124.74 164.63 19.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.797 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.81 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 94.6 t -68.04 -45.58 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.061 0.458 . . . . 0.0 110.133 175.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HB3' HG23 ' A' ' 42' ' ' ILE . 6.5 pt-20 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.008 -174.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -72.56 -41.64 65.53 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.244 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.713 ' HE3' HD21 ' A' ' 13' ' ' LEU . 66.7 t90 -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.028 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.713 HD21 ' HE3' ' A' ' 12' ' ' TRP . 4.2 mm? -62.35 -30.64 71.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.912 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.404 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 25.6 t-20 -61.82 -53.06 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.295 0.569 . . . . 0.0 110.396 176.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.17 -29.42 66.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.682 ' HE1' ' HG2' ' A' ' 88' ' ' GLN . 87.0 t90 -57.34 -58.25 9.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.364 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 14' ' ' ASN . 4.6 pp -65.41 -23.3 66.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.685 0.279 . . . . 0.0 111.047 -178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.1 m -64.19 -46.62 83.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.68 0.276 . . . . 0.0 111.055 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -97.05 -41.75 8.21 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -67.94 -30.39 69.69 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.92 -52.3 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 2.6 tptm 57.79 93.52 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 124.099 0.874 . . . . 0.0 110.924 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 21.4 Cg_endo -60.74 103.98 0.25 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.118 2.546 . . . . 0.0 113.508 -172.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -142.79 -80.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.758 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 mt -154.17 -4.9 0.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -87.95 -70.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.886 -172.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -119.11 77.38 1.19 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.197 0.522 . . . . 0.0 110.622 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -135.19 12.72 3.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.527 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -113.25 3.96 16.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.192 -174.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.71 83.89 1.87 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.678 0.275 . . . . 0.0 111.339 -175.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -84.5 -19.97 32.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.114 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p -54.77 -47.71 73.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.126 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -61.44 -41.32 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.097 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.6 mt-10 -62.54 -53.65 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.6 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m -54.8 -61.94 1.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.101 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -60.1 -40.55 83.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.3 tp -68.45 -61.27 1.91 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.649 ' HB2' HD12 ' A' ' 42' ' ' ILE . 5.1 ptp180 -61.86 -36.93 82.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.744 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.07 -44.2 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.682 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -91.51 -43.25 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.7 p -98.55 -27.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -169.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.649 HD12 ' HB2' ' A' ' 38' ' ' ARG . 13.4 mt -65.87 -48.93 60.96 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.697 -0.627 . . . . 0.0 112.624 -175.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.8 Cg_endo -71.93 -14.71 29.49 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.585 1.523 . . . . 0.0 112.807 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.6 p -97.74 -64.57 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 111.562 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -115.29 -2.51 12.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.0 -175.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.81 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.44 -20.1 76.7 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.557 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -79.39 -7.42 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.285 0.564 . . . . 0.0 110.727 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.0 mt -98.7 133.04 22.84 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.613 ' HG2' ' CB ' ' A' ' 52' ' ' LYS . 10.2 Cg_endo -54.34 144.66 59.84 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.65 2.234 . . . . 0.0 112.114 174.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD23 HG21 ' A' ' 9' ' ' VAL . 84.7 mt -56.31 -40.54 74.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.576 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -71.94 -21.46 61.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 111.091 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.613 ' CB ' ' HG2' ' A' ' 49' ' ' PRO . 85.6 tttt -90.71 -17.36 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.239 -178.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.93 128.63 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.432 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 10.3 mt-30 -110.46 149.13 39.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.897 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.83 -23.99 78.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.591 2.194 . . . . 0.0 111.683 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.42 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.566 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 5.3 m-20 -70.64 -38.65 73.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.053 178.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.491 HD12 ' HB2' ' A' ' 99' ' ' PRO . 58.0 mt -67.02 -39.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.326 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -51.12 69.72 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 173.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -54.65 -47.39 73.58 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.822 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 2.5 tm? -58.02 -40.54 81.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.35 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.648 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 16.0 m-30 -65.02 -46.83 79.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.771 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.08 96.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.168 0.509 . . . . 0.0 110.753 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.44 67.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.615 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.648 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 52.1 mtmt -75.99 -45.24 35.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 175.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.97 -33.71 76.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.912 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.87 -32.25 70.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.077 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.4 t -79.57 -14.03 59.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.583 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.49 31.12 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.4 mt -83.63 134.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.72 0.295 . . . . 0.0 110.755 177.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.419 ' O ' HG21 ' A' ' 75' ' ' VAL . 15.8 m -62.42 135.89 95.56 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.653 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 51.3 Cg_exo -54.07 -30.79 61.61 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.168 2.579 . . . . 0.0 112.888 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -61.9 -50.2 73.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 0.0 111.106 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -69.64 -28.42 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.605 HG13 ' HG2' ' A' ' 106' ' ' PRO . 87.4 t -60.7 -38.79 79.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.296 174.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.653 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 25.2 mtt180 -71.49 -33.23 69.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.22 -47.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.074 0.464 . . . . 0.0 110.203 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' HA ' HG12 ' A' ' 81' ' ' VAL . 75.4 mt -61.62 -29.25 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.819 176.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' ARG . 10.7 t-80 -64.95 -52.04 58.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.761 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.24 -36.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.8 p -65.45 -38.13 81.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.523 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -70.95 -41.16 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -58.21 -46.76 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.325 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.9 -18.05 51.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.511 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.94 -33.26 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.202 0.525 . . . . 0.0 110.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mtp -84.44 -6.39 59.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.585 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 73.7 m -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.682 ' HG2' ' HE1' ' A' ' 16' ' ' TRP . 26.0 mp0 -62.82 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.629 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -64.05 -36.16 83.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -71.31 -45.32 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.305 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 87' ' ' SER . 66.5 mm-40 -59.88 -40.04 87.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -68.97 -18.49 64.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 23.52 65.26 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.734 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.629 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -95.11 -7.46 39.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.138 0.494 . . . . 0.0 110.434 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' ' H ' ' A' ' 96' ' ' LEU . 15.2 tp -113.28 -131.87 0.32 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.2 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.506 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 63.5 tp -164.06 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.278 0.561 . . . . 0.0 110.391 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -134.5 -172.29 2.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.896 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.535 ' OD1' ' HG2' ' A' ' 101' ' ' GLU . 19.2 t-20 -112.89 98.15 44.24 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.491 ' HB2' HD12 ' A' ' 58' ' ' ILE . 6.5 Cg_exo -72.25 -13.67 28.3 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.892 -169.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 p -74.99 -32.75 61.75 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.364 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.535 ' HG2' ' OD1' ' A' ' 98' ' ' ASN . 5.7 mm-40 -85.51 -18.49 33.34 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.911 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.0 -12.85 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.49 152.8 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.657 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 119.03 69.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.256 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.54 152.61 81.33 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.881 2.387 . . . . 0.0 112.135 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.605 ' HG2' HG13 ' A' ' 75' ' ' VAL . 52.2 Cg_exo -53.73 155.14 14.56 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.942 2.428 . . . . 0.0 112.081 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.01 99.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.471 0.653 . . . . 0.0 111.961 -174.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.56 135.08 2.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 114.856 -1.066 . . . . 0.0 108.547 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.1 139.04 71.69 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.153 2.569 . . . . 0.0 113.248 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -108.98 87.19 2.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -111.57 103.85 12.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.221 0.534 . . . . 0.0 110.422 176.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -148.37 66.07 1.08 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 177.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -68.5 -29.95 68.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.803 -175.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -77.15 104.76 7.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -138.62 -140.76 0.15 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -50.5 -32.72 19.02 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.198 0.523 . . . . 0.0 110.072 172.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.202 -0.904 . . . . 0.0 108.643 169.878 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.681 0.277 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.2 pt -87.55 -16.98 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -100.19 131.93 23.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.896 0.379 . . . . 0.0 111.014 -174.429 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 39.4 Cg_exo -62.14 107.19 0.53 Allowed 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.569 2.179 . . . . 0.0 111.665 175.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p -98.28 -8.79 26.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.317 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -72.72 -10.9 60.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.776 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.23 100.54 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.374 0.607 . . . . 0.0 110.671 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.65 HG22 ' H ' ' A' ' 9' ' ' VAL . 4.3 m -113.02 178.33 4.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.361 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.664 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.9 t -56.36 -53.91 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.652 0.263 . . . . 0.0 111.461 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.643 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -67.19 -23.12 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.541 -177.216 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -53.59 49.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -71.5 -36.92 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 109.982 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.5 -45.35 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.924 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -50.15 -59.65 3.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.186 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -55.77 -41.01 73.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.517 -177.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.7 m -66.67 -46.83 74.4 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -88.12 -39.35 14.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -173.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -77.86 -17.86 56.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.243 0.461 . . . . 0.0 112.243 -173.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.0 -46.7 33.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.5 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.598 ' HZ1' ' HB3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 56.86 87.33 0.14 Allowed Pre-proline 0 CA--C 1.532 0.252 0 CA-C-O 121.4 0.619 . . . . 0.0 110.153 -177.764 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.99 104.7 0.73 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.591 2.194 . . . . 0.0 113.071 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -168.33 -42.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.168 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -102.25 104.1 14.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.716 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -97.23 112.24 24.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.884 0.374 . . . . 0.0 110.711 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -160.46 127.85 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.674 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 m -84.92 120.21 26.24 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 m -98.63 10.5 40.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.425 -172.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.0 m-90 60.1 39.5 19.54 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.636 0.731 . . . . 0.0 109.262 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.563 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 1.0 OUTLIER -77.11 109.56 11.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.636 -172.352 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.535 ' O ' HG22 ' A' ' 36' ' ' VAL . 43.3 m -65.34 -34.16 77.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.765 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CD2' HG22 ' A' ' 81' ' ' VAL . 33.3 m-85 -52.4 -38.63 59.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.7 -50.85 55.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.454 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 m -68.26 -52.01 38.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.408 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 32' ' ' SER . 34.7 m -67.0 -33.56 64.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' O ' HG21 ' A' ' 41' ' ' VAL . 21.0 tp -65.14 -62.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -178.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.571 ' HG3' ' N ' ' A' ' 39' ' ' LEU . 8.4 ptp180 -53.86 -45.95 71.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.115 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.571 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 31.7 tp -64.89 -39.3 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.98 -171.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -100.59 -40.77 7.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -171.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.563 HG21 ' O ' ' A' ' 37' ' ' LEU . 2.8 m -90.83 -32.61 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -169.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.562 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 42.0 mt -67.25 -47.99 48.53 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -173.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 14.7 Cg_endo -57.07 -42.37 64.62 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.22 1.946 . . . . 0.0 113.931 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 t -105.38 -46.41 4.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' HG ' HD13 ' A' ' 61' ' ' LEU . 1.2 tm? -84.61 -31.27 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.204 0.526 . . . . 0.0 109.905 -174.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.664 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -74.62 14.59 4.24 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.077 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.1 m -108.32 -0.81 20.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.459 . . . . 0.0 110.228 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.6 mt -113.15 125.38 29.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.211 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 52.4 Cg_exo -55.78 145.3 72.77 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.005 2.47 . . . . 0.0 112.562 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.14 -29.68 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -85.43 5.78 29.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -131.48 8.91 4.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.463 0.649 . . . . 0.0 109.971 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -82.2 122.44 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.582 -175.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -124.95 161.74 47.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.724 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.42 -29.39 58.65 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.94 2.427 . . . . 0.0 113.002 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.71 80.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' HB3' ' A' ' 60' ' ' ARG . 21.3 m-20 -69.64 -36.48 76.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.46 -34.69 63.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.3 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -41.32 93.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 18.7 ttt85 -59.93 -39.79 86.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.79 177.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.513 HD11 HG11 ' A' ' 41' ' ' VAL . 3.2 tt -53.93 -60.53 3.21 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 23.5 m-85 -61.9 -44.44 96.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.333 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 t -63.67 -39.69 94.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 57.4 mmtt -88.7 -25.43 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.05 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.03 -18.23 63.11 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -7.05 55.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.171 0.51 . . . . 0.0 110.461 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.18 62.67 0.7 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.774 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.6 mt -99.35 139.33 35.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.02 0.438 . . . . 0.0 111.369 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.4 m -74.51 156.97 86.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.923 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.04 -46.01 36.48 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.598 2.199 . . . . 0.0 112.033 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.404 ' HA ' ' HB3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -68.36 -28.82 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.463 179.345 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.575 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.4 mmt85 -65.29 -50.9 63.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.49 -40.85 85.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 109.952 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 80' ' ' VAL . 44.0 ttt180 -56.19 -48.49 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.217 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.58 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 74' ' ' ARG . 61.7 mt -63.8 -35.43 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.029 176.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.479 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.2 t-80 -64.2 -38.33 90.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.093 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 76' ' ' ARG . 93.6 t -71.96 -50.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.385 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' A' ' 78' ' ' ILE . 11.0 p -62.73 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.184 -177.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.4 tp -68.51 -42.19 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.371 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -59.93 -38.01 81.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.542 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -70.1 -55.98 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.547 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.32 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.936 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.0 ttm -68.74 -27.97 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.352 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 93.3 p -69.32 -27.25 65.21 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.786 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.29 -30.98 72.01 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.87 0.367 . . . . 0.0 110.202 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.688 ' HB3' HD12 ' A' ' 94' ' ' LEU . . . -67.38 -37.99 84.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 110.033 176.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 69.9 ttt180 -66.85 -45.64 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 87' ' ' SER . 47.6 mt-10 -64.14 -29.36 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.784 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -68.59 -25.7 65.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.93 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.62 -0.65 55.49 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.909 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.688 HD12 ' HB3' ' A' ' 89' ' ' ALA . 4.1 pp -87.77 -11.66 47.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.365 0.602 . . . . 0.0 109.789 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 39.4 tp -136.53 132.78 35.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.728 HD21 ' H ' ' A' ' 96' ' ' LEU . 2.4 pt? -99.46 -18.35 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.904 0.383 . . . . 0.0 111.477 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -116.79 160.44 20.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -120.35 94.84 48.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.95 -9.82 11.76 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.531 2.154 . . . . 0.0 112.635 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 m -70.64 -27.75 64.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.692 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.57 -26.84 60.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.72 2.93 43.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.792 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.48 107.65 18.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.655 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -96.49 144.82 28.5 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.159 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.492 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 52.3 Cg_exo -52.52 -46.07 35.73 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.134 2.556 . . . . 0.0 114.138 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 105' ' ' PRO . 15.0 Cg_endo -58.82 121.37 9.85 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 121.777 1.651 . . . . 0.0 112.05 174.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -78.82 93.16 4.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 110.627 -176.728 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -163.08 96.26 1.09 Allowed Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.208 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -87.12 -174.96 1.45 Allowed 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.744 2.296 . . . . 0.0 112.244 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.25 71.88 10.8 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -65.52 132.36 48.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.88 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -149.26 113.18 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.072 -177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -76.41 87.81 3.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.658 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 50.55 88.0 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.177 -174.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -74.19 132.31 42.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.793 -177.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 75.79 145.78 0.09 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.155 0.909 . . . . 0.0 112.192 177.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 . . . . . 0 C--O 1.244 0.772 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.644 174.517 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 45.7 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.823 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 86.1 t -59.21 -47.12 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.245 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -26.39 65.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.628 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.57 -42.18 95.8 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 121.074 0.464 . . . . 0.0 109.914 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.473 ' HH2' ' HB2' ' A' ' 88' ' ' GLN . 63.3 t90 -72.76 -42.81 63.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.059 177.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 9' ' ' VAL . 79.0 mt -56.77 -52.82 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -63.88 -33.37 75.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.747 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.34 -41.78 47.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.973 0.416 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 t90 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.127 177.724 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.89 -32.16 73.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.886 0.374 . . . . 0.0 110.479 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 18.5 tt0 -77.07 -50.86 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.185 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.2 m -53.98 -55.88 23.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.136 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.28 -37.36 77.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.907 0.384 . . . . 0.0 111.021 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' VAL . 28.4 tp -65.2 -65.35 0.68 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.436 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 46.5 ptt85 -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.419 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.96 -37.59 82.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.321 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -97.13 -49.05 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' LEU . 7.8 p -86.56 -28.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -169.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.537 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 26.2 mt -64.77 -53.07 46.31 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.954 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 10.9 Cg_exo -71.58 -3.9 13.97 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.916 1.744 . . . . 0.0 112.93 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.1 p -108.07 -67.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.989 0.423 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.464 HD13 HD21 ' A' ' 53' ' ' LEU . 60.8 mt -110.6 -7.79 14.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -174.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.823 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.06 -29.57 74.79 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 113.177 -175.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -86.24 15.68 5.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.186 0.517 . . . . 0.0 111.239 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 9' ' ' VAL . 66.5 mt -115.89 139.1 24.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.607 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 25.3 Cg_endo -64.35 144.2 85.15 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.007 1.805 . . . . 0.0 111.971 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 95' ' ' LEU . 52.1 mt -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.1 -4.25 49.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.788 0.328 . . . . 0.0 111.782 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.607 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 61.3 tttp -116.42 -12.57 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.455 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.493 HD11 HG13 ' A' ' 58' ' ' ILE . 3.2 tm? -68.12 119.12 12.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.98 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.62 146.9 38.26 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.931 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.43 -26.95 80.06 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.703 2.269 . . . . 0.0 111.67 174.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.28 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.734 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.38 -39.29 85.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.493 HG13 HD11 ' A' ' 53' ' ' LEU . 69.4 mt -65.46 -43.27 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -62.23 -44.54 96.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -61.7 -36.77 81.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.998 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.38 -48.35 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 79' ' ' HIS . 23.4 m-85 -61.41 -44.91 96.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.227 0.537 . . . . 0.0 110.949 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 67' ' ' GLU . . . -71.28 -49.68 40.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.017 -175.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -67.32 -34.82 78.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.416 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.906 ' HB3' HD12 ' A' ' 70' ' ' LEU . 29.9 mmtm -77.65 -23.1 49.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.281 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.78 -42.99 90.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 63' ' ' ALA . 7.0 mm-40 -63.96 -25.46 68.15 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.489 175.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -78.71 -8.27 58.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.423 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.06 22.83 7.69 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.63 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.906 HD12 ' HB3' ' A' ' 65' ' ' LYS . 42.2 mt -85.85 142.6 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.032 0.416 . . . . 0.0 110.182 175.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.4 m -71.99 138.4 82.21 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.112 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -37.95 82.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.253 2.635 . . . . 0.0 112.841 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 8.1 m -69.21 -37.85 78.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.208 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 78' ' ' ILE . 12.0 ttp85 -76.81 -33.61 57.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.45 -37.04 78.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.502 0.668 . . . . 0.0 109.241 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 73' ' ' THR . 44.5 ttm180 -61.45 -37.75 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.497 177.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -67.62 -44.57 77.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.646 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 74' ' ' ARG . 80.4 mt -57.81 -36.86 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 110.379 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.437 ' HA ' ' CE1' ' A' ' 62' ' ' TYR . 2.5 t60 -54.04 -51.45 63.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.868 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.0 m -79.63 -36.66 17.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.18 -37.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.191 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.16 -42.05 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.959 0.409 . . . . 0.0 109.928 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.457 ' HD2' ' OG1' ' A' ' 100' ' ' THR . 37.7 t-80 -57.71 -59.66 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.313 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.43 -18.12 58.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -171.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.82 56.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.63 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 49.4 ttm -69.06 -28.57 66.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.704 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 49.3 m -63.29 -22.36 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.127 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB2' ' HH2' ' A' ' 12' ' ' TRP . 14.8 mm100 -70.57 -28.48 64.92 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.728 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -75.84 -34.23 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.507 0.67 . . . . 0.0 109.736 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.191 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.55 -3.82 45.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.146 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -91.5 -7.29 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.053 0.454 . . . . 0.0 109.828 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.79 7.88 88.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.104 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.728 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.5 pp -100.22 -10.68 21.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 110.242 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 50' ' ' LEU . 47.6 tp -123.48 129.15 50.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.193 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.804 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.2 pt? -79.23 -36.58 39.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -150.46 147.62 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -78.85 114.35 43.22 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.63 ' HD2' ' SD ' ' A' ' 86' ' ' MET . 24.3 Cg_exo -63.94 -16.52 55.34 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.796 2.33 . . . . 0.0 111.847 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.457 ' OG1' ' HD2' ' A' ' 83' ' ' HIS . 34.4 p -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.5 -19.32 49.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.894 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.2 -0.13 30.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.723 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.5 174.58 8.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.432 ' NZ ' ' HB3' ' A' ' 104' ' ' LYS . 8.1 mtpm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.888 0.375 . . . . 0.0 110.221 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 48' ' ' ILE . 59.8 t -50.01 -48.87 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.876 0.369 . . . . 0.0 111.602 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -59.0 -42.9 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.477 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -77.05 -36.45 55.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -63.71 -51.16 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.01 -49.89 70.4 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.932 0.396 . . . . 0.0 110.497 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -56.59 -49.04 76.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.603 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -70.16 -49.79 46.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.772 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.11 -174.655 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 36' ' ' VAL . 37.1 p . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.49 0.185 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HA ' HG21 ' A' ' 81' ' ' VAL . 21.5 m-85 -48.33 -53.38 17.63 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 124.05 0.844 . . . . 0.0 110.393 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 24.7 tt0 -67.31 -49.62 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.958 -176.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.1 m -52.46 -55.39 22.23 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.041 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 32' ' ' SER . 26.9 m -64.73 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.606 ' O ' HG12 ' A' ' 41' ' ' VAL . 76.8 mt -69.33 -64.27 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.546 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 45.6 ptt85 -56.98 -40.79 77.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.8 -175.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.75 -50.11 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.932 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -101.37 -39.81 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -171.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 37' ' ' LEU . 4.0 p -93.68 -22.32 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.056 -171.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.632 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -71.67 -44.46 12.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 52.2 Cg_exo -55.88 -34.08 90.55 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.884 1.723 . . . . 0.0 113.658 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.419 HG23 HD13 ' A' ' 45' ' ' LEU . 5.2 t -108.05 -43.23 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.658 ' HG ' HD12 ' A' ' 48' ' ' ILE . 10.6 mp -106.17 -6.24 18.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.481 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.5 -21.54 77.61 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.113 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 p -88.79 5.7 42.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.658 HD12 ' HG ' ' A' ' 45' ' ' LEU . 64.1 mt -96.28 131.62 28.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.405 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 52' ' ' LYS . 30.9 Cg_endo -66.18 139.58 55.93 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.456 2.104 . . . . 0.0 111.294 174.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 9' ' ' VAL . 96.0 mt -54.2 -33.25 57.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -176.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.01 2.61 45.69 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 4.0 ttpt -107.93 -17.77 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.741 HD11 HD11 ' A' ' 58' ' ' ILE . 3.0 tm? -51.5 111.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.319 -172.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 97.3 mt-30 -107.62 153.93 41.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.266 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.18 -27.89 85.81 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.476 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.6 93.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.388 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -63.09 -41.52 99.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.841 0.353 . . . . 0.0 110.246 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.741 HD11 HD11 ' A' ' 53' ' ' LEU . 19.3 mt -65.29 -48.26 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.82 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.38 -44.4 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.802 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -63.57 -37.26 86.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.03 -51.03 67.57 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.522 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 58' ' ' ILE . 25.1 m-85 -62.78 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.339 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -56.26 23.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.66 0.6 . . . . 0.0 111.451 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m -69.98 -26.25 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.078 0.466 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.612 ' HG2' HD12 ' A' ' 70' ' ' LEU . 23.2 ttpp -74.81 -24.13 58.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.183 0.516 . . . . 0.0 110.168 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.54 -39.46 64.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.27 -15.23 63.04 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.969 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.8 t -74.1 -17.64 60.92 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.21 35.81 3.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.838 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.612 HD12 ' HG2' ' A' ' 65' ' ' LYS . 14.0 mt -99.87 138.0 37.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.743 0.271 . . . . 0.0 111.04 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 75' ' ' VAL . 46.9 t -63.79 136.92 96.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.2 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.03 -25.47 44.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.408 2.739 . . . . 0.0 112.626 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -62.58 -48.45 79.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -74.74 -27.35 60.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.852 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 71' ' ' SER . 97.1 t -63.46 -41.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.978 175.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -67.11 -38.26 85.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.362 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.89 -47.47 80.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.836 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.59 ' HA ' HG12 ' A' ' 81' ' ' VAL . 80.7 mt -59.7 -34.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.552 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 27.5 t-80 -65.07 -40.33 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.065 0.46 . . . . 0.0 110.363 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.95 -46.61 51.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.6 p -66.65 -39.95 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.097 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.37 -40.58 97.63 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 87' ' ' SER . 33.6 t60 -55.95 -52.07 65.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.584 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.45 -46.47 82.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.31 81.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.409 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.8 ttm -71.42 -26.7 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 83' ' ' HIS . 23.0 t -57.84 -30.62 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 177.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -64.2 -39.7 94.54 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.5 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 25.8 ttp-105 -65.5 -49.38 69.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.054 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -79.22 7.98 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.437 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -111.68 2.82 17.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.44 174.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.13 13.33 82.16 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.288 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.21 -27.96 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 34.0 tp -131.73 122.13 25.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.054 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.798 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.4 pt? -80.41 -10.69 59.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.976 -174.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -132.47 170.74 14.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -173.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -120.22 95.21 49.05 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.529 ' HG2' HD12 ' A' ' 53' ' ' LEU . 2.0 Cg_endo -83.74 -12.25 8.75 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.248 2.632 . . . . 0.0 112.975 -174.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -37.76 88.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.331 -176.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -33.13 61.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.92 -23.62 64.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.212 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.41 93.65 9.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.842 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.844 -178.53 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 31.2 p . . . . . 0 C--O 1.237 0.447 0 CA-C-O 120.747 0.308 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.581 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 98.0 t -61.52 -48.03 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.451 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.3 -36.04 76.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -67.6 -45.37 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.594 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -71.36 -47.08 58.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.96 -52.18 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.15 -43.57 98.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.898 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.1 ttm-85 -64.51 -43.39 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.613 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.013 178.766 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.941 0.4 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.04 -47.51 79.92 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.14 -42.63 81.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.3 m -72.24 -47.41 50.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.388 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.95 -39.63 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.269 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 41' ' ' VAL . 93.4 mt -60.55 -54.75 41.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -47.9 -55.29 10.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.136 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 tp -61.54 -36.22 79.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.384 -170.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.664 ' HD2' HD11 ' A' ' 61' ' ' LEU . 10.9 p-80 -98.3 -40.43 8.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -169.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.0 p -102.4 -30.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.97 -55.49 40.68 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.988 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.71 -11.14 29.14 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.888 1.726 . . . . 0.0 113.093 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -101.69 -66.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 111.764 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -112.23 4.91 18.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -171.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.581 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -61.91 -37.45 94.38 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.142 -176.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -79.77 -0.41 34.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.176 0.512 . . . . 0.0 110.648 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 9' ' ' VAL . 50.8 mt -92.61 134.67 27.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.694 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.687 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.8 Cg_exo -63.3 143.75 89.87 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.711 2.274 . . . . 0.0 112.095 176.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.22 -28.12 62.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.892 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 32.8 mmtp -76.47 -16.75 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -103.97 -3.93 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.556 . . . . 0.0 110.145 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -74.23 102.1 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.656 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -101.67 161.08 24.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.471 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.678 ' HG3' ' HA ' ' A' ' 99' ' ' PRO . 32.7 Cg_exo -60.89 -30.01 89.21 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.411 2.074 . . . . 0.0 111.376 173.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.41 87.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.15 -40.43 90.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 110.107 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.634 HD11 HD11 ' A' ' 53' ' ' LEU . 62.1 mt -66.59 -42.68 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.916 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.15 -37.84 88.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.975 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 60' ' ' ARG . 32.0 ttt180 -63.44 -42.13 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.272 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.664 HD11 ' HD2' ' A' ' 40' ' ' HIS . 5.6 tt -48.05 -59.31 3.47 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.881 0.738 . . . . 0.0 109.904 176.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 15.2 m-85 -57.72 -54.43 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.44 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.471 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.2 m -65.45 -49.86 67.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.567 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HG2' ' HG ' ' A' ' 70' ' ' LEU . 77.6 tttt -79.06 -22.76 44.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.035 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 52.5 tp -59.22 -45.66 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.94 -23.57 67.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.164 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.7 t -76.61 -47.61 21.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.981 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.46 53.98 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.267 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.765 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 36.4 mt -99.02 133.51 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.595 -0.356 . . . . 0.0 110.338 174.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 m -68.05 143.33 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.01 -35.67 72.78 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.713 2.275 . . . . 0.0 112.256 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.4 p -66.69 -41.72 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.984 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -63.41 -37.73 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.652 HG21 HD13 ' A' ' 66' ' ' LEU . 59.3 t -59.7 -41.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 123.369 0.418 . . . . 0.0 110.275 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -72.94 -38.3 66.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HA ' HG12 ' A' ' 80' ' ' VAL . 41.6 t80 -64.91 -50.76 65.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.3 mt -57.93 -34.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.622 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.491 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 36.2 t-80 -70.01 -49.07 55.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.267 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 77' ' ' TYR . 11.3 p -69.86 -37.61 73.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.387 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.05 -33.59 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.303 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.4 tp -72.21 -39.23 68.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -64.4 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.69 -50.85 9.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.028 0.442 . . . . 0.0 111.004 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.64 15.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -171.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.6 tpt -75.5 -29.3 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.596 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -67.79 -17.1 64.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 110.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.82 -20.91 64.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.58 75.68 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 90' ' ' ARG . 25.1 ttt180 -66.91 -43.86 82.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.895 175.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.35 -18.22 60.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -73.76 -12.12 60.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.575 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.11 -5.28 57.65 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.655 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.428 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 3.6 mm? -75.76 -48.3 22.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.21 149.49 35.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.637 HD23 ' H ' ' A' ' 96' ' ' LEU . 1.1 pt? -100.94 -30.52 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.572 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 77.8 mt-30 -103.01 167.9 9.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.321 . . . . 0.0 110.938 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -115.57 94.72 41.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.907 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.678 ' HA ' ' HG3' ' A' ' 55' ' ' PRO . 7.1 Cg_exo -74.31 -22.71 16.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.913 2.409 . . . . 0.0 112.572 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.9 p -69.85 -35.18 74.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.276 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.53 -35.44 60.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.27 8.26 31.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.884 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.54 90.41 8.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 109.468 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.332 -176.759 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.579 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 32.8 p . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.776 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 48.8 t -56.31 -45.74 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.179 0.299 . . . . 0.0 111.405 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HB3' HG13 ' A' ' 42' ' ' ILE . 13.5 pt-20 -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -65.81 -52.24 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.446 -174.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.619 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 69.0 p-90 -77.37 -35.43 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.059 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.05 -39.2 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.471 0.177 . . . . 0.0 111.413 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -59.07 -46.74 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 0.0 110.481 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -80.87 -28.07 36.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.532 ' HZ2' ' HG2' ' A' ' 88' ' ' GLN . 89.6 t90 . . . . . 0 CA--C 1.518 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.7 m . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -44.28 -60.86 1.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.335 1.022 . . . . 0.0 113.115 -169.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -72.26 -37.36 69.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.606 0.241 . . . . 0.0 111.553 -173.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 m -66.6 -47.39 72.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.712 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 32' ' ' SER . 27.0 m -65.7 -39.71 85.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.44 -56.34 10.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.2 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.535 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 20.7 tpt180 -47.5 -65.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.131 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.7 tp -52.93 -42.85 65.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.915 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -99.58 -56.33 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 20.9 m -96.37 -14.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -168.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.3 mp -68.83 -48.07 30.71 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 118.624 0.647 . . . . 0.0 112.301 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 8.1 Cg_exo -73.41 -9.59 23.14 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.861 1.707 . . . . 0.0 112.54 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 41' ' ' VAL . 10.9 p -107.35 -67.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.845 0.355 . . . . 0.0 111.735 -177.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -97.62 -29.24 13.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.776 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -66.69 -21.27 70.89 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.797 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -84.46 -3.89 58.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.056 0.455 . . . . 0.0 110.465 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -103.95 133.44 20.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.107 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.82 145.45 96.48 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.321 2.014 . . . . 0.0 111.509 173.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.515 HD22 HD21 ' A' ' 95' ' ' LEU . 94.6 mt -64.45 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.518 . . . . 0.0 111.338 -175.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -75.39 -1.57 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.276 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -124.36 -14.69 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -64.38 122.6 17.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -106.2 154.55 39.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' ILE . 33.6 Cg_endo -65.44 -27.8 54.46 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.389 2.059 . . . . 0.0 111.222 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.98 99.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.77 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.336 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 53' ' ' LEU . 79.3 mt -59.28 -56.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.791 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -65.26 -34.12 77.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.276 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -62.98 -42.85 99.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.715 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -49.89 70.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 24.3 m-85 -62.67 -47.07 85.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.968 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.0 89.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.891 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -65.67 -40.81 92.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.43 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 38.7 tptt -85.01 -18.95 32.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.984 0.421 . . . . 0.0 110.489 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.763 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 40.3 tp -66.6 -32.13 73.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.715 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.1 -40.94 91.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.133 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.84 -50.66 27.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.76 40.13 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 119.59 -1.29 . . . . 0.0 113.639 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.763 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 40.2 mt -100.37 164.84 11.75 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.474 -0.427 . . . . 0.0 109.992 172.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -108.2 151.57 41.47 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.3 -23.93 48.61 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.025 2.483 . . . . 0.0 112.965 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.4 p -81.2 -39.34 25.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.634 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.44 -35.94 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.844 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.59 -22.04 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.02 0.438 . . . . 0.0 110.205 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 80' ' ' VAL . 55.5 ttt85 -69.37 -44.23 71.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.32 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -57.71 -48.61 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.673 0.273 . . . . 0.0 110.498 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.06 -36.12 60.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.33 0.586 . . . . 0.0 110.121 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.59 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 1.9 t-80 -66.85 -39.34 87.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.535 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 76' ' ' ARG . 60.0 t -72.97 -48.46 44.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.02 -177.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -38.2 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.2 tp -71.16 -32.72 69.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.257 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.609 ' HA ' ' HB ' ' A' ' 100' ' ' THR . 52.4 t60 -55.68 -50.64 69.74 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -71.06 -40.31 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.42 -52.62 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.584 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.9 mtt -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.302 . . . . 0.0 111.35 -178.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -66.31 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.879 0.371 . . . . 0.0 110.384 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.532 ' HG2' ' HZ2' ' A' ' 16' ' ' TRP . 27.2 tp60 -75.02 -29.29 60.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.068 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.238 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.89 -44.16 86.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.436 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.74 -42.08 96.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.753 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.0 t -67.0 -22.66 65.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.768 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.75 6.45 52.47 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.03 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.18 -36.04 71.81 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -113.91 115.06 27.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.404 172.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -70.37 -24.52 62.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.151 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.481 ' O ' ' HB3' ' A' ' 95' ' ' LEU . 11.0 pt20 -127.49 -179.27 4.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.417 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 101' ' ' GLU . 29.7 p-10 -114.52 95.36 39.81 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.628 0.728 . . . . 0.0 110.982 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.19 -30.81 6.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.755 2.303 . . . . 0.0 112.879 -175.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.609 ' HB ' ' HA ' ' A' ' 83' ' ' HIS . 12.9 p -73.39 -19.55 60.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.147 0.499 . . . . 0.0 111.175 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.404 ' HB3' ' ND2' ' A' ' 98' ' ' ASN . 3.8 tm-20 -95.45 -24.21 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.559 0.695 . . . . 0.0 109.24 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 55' ' ' PRO . . . -71.87 -12.67 61.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.5 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.9 176.33 7.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt . . . . . 0 N--CA 1.467 0.419 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.242 -171.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.414 ' OG1' ' HG2' ' A' ' 10' ' ' GLU . 14.7 p . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.539 0.209 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.484 HG12 HD23 ' A' ' 13' ' ' LEU . 57.3 t -61.55 -32.86 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.26 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.414 ' HG2' ' OG1' ' A' ' 8' ' ' THR . 13.1 pt-20 -61.07 -22.43 64.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.77 -53.69 54.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.457 ' HE1' HG13 ' A' ' 9' ' ' VAL . 19.7 p-90 -76.29 -24.89 54.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.726 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.484 HD23 HG12 ' A' ' 9' ' ' VAL . 1.7 mm? -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.782 0.325 . . . . 0.0 110.195 172.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.71 -48.02 83.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.709 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -63.95 -48.48 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.65 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.7 t90 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.096 -178.257 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 36' ' ' VAL . 16.6 m . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -64.66 -30.85 71.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.294 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -42.24 20.4 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.92 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.7 m -58.52 -57.4 13.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.504 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' A' ' 77' ' ' TYR . 30.9 m -63.54 -31.03 51.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.722 0.296 . . . . 0.0 111.136 -176.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.615 ' O ' HG12 ' A' ' 41' ' ' VAL . 29.6 tp -64.31 -64.14 0.96 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.39 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.643 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 24.1 ptt85 -72.42 -36.25 68.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.84 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.7 -38.02 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.586 0.231 . . . . 0.0 111.431 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -88.49 -55.22 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.9 p -93.79 -27.06 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -168.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.643 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.4 mp -66.55 -43.92 53.43 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 19.5 Cg_endo -60.51 -25.78 81.37 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.782 1.654 . . . . 0.0 113.137 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 t -108.18 -58.35 2.0 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.541 ' HB2' HG22 ' A' ' 41' ' ' VAL . 11.1 mp -88.43 -6.63 57.54 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 111.335 -176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.45 -16.03 71.12 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.214 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -95.97 9.06 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 110.389 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.456 HD12 ' HG ' ' A' ' 45' ' ' LEU . 67.1 mt -111.7 121.26 40.35 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.856 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.85 134.58 65.41 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.545 2.163 . . . . 0.0 111.887 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.408 HD11 ' NE1' ' A' ' 12' ' ' TRP . 95.3 mt -55.01 -29.53 57.54 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -176.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 94' ' ' LEU . 12.4 mmmm -76.08 -16.13 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -109.53 -1.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.235 0.54 . . . . 0.0 109.806 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.508 HD21 HD23 ' A' ' 45' ' ' LEU . 3.3 tm? -69.77 116.75 10.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.521 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -106.73 152.52 40.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.18 -34.39 87.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.755 2.303 . . . . 0.0 112.12 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.63 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.174 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -70.63 -38.29 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.482 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 99' ' ' PRO . 64.1 mt -64.76 -42.69 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 0.0 110.052 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.87 -41.45 99.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.0 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 60' ' ' ARG . 23.0 ttt180 -63.12 -39.28 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.716 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.499 HD22 ' HD3' ' A' ' 65' ' ' LYS . 3.3 tm? -53.1 -46.63 68.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.939 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.466 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 26.1 m-85 -64.7 -49.57 70.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.402 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.67 85.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.89 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.4 m -64.25 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.515 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HD3' HD22 ' A' ' 61' ' ' LEU . 5.0 mptp? -80.92 -29.56 35.51 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.013 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.85 -36.96 80.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 109.884 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.25 -29.84 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.434 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -75.65 -10.57 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.041 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.9 48.33 1.09 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.438 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD23 HG22 ' A' ' 75' ' ' VAL . 34.9 tp -96.29 139.89 31.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.447 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 37.0 m -73.71 133.96 79.17 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.802 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 71' ' ' SER . 50.5 Cg_exo -54.58 -37.39 90.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.295 2.664 . . . . 0.0 112.931 -177.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -65.09 -40.2 94.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.219 0.533 . . . . 0.0 110.491 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.48 ' O ' HG13 ' A' ' 78' ' ' ILE . 18.2 ttm180 -66.56 -34.47 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.815 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.431 HG22 HD23 ' A' ' 70' ' ' LEU . 99.7 t -60.06 -41.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.19 175.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.4 -41.66 98.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.546 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.444 ' CE2' HG21 ' A' ' 36' ' ' VAL . 58.6 t80 -62.84 -47.4 83.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.968 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 74' ' ' ARG . 69.7 mt -57.56 -35.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.002 0.429 . . . . 0.0 110.518 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.466 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 51.0 t-80 -66.23 -40.8 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.242 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.96 -36.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.483 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.54 -35.45 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -69.72 -35.32 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.946 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.38 -40.16 85.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.972 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.4 -58.28 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.04 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 48.4 mtt -83.49 -4.71 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.032 -177.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -66.9 -45.18 78.75 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -71.2 -36.53 71.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.7 91.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.993 0.425 . . . . 0.0 110.417 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 95' ' ' LEU . 45.8 ttp180 -57.8 -55.79 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.403 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.4 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 32.0 mt-10 -79.26 9.73 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.398 -175.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.556 ' HB3' HD23 ' A' ' 94' ' ' LEU . 6.8 t -100.69 -9.33 21.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.38 0.26 56.91 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.457 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 92' ' ' SER . 4.2 mm? -80.11 -43.09 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.888 0.375 . . . . 0.0 110.455 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 90' ' ' ARG . 3.7 mm? -111.28 120.74 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.511 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.582 ' HG ' ' HG2' ' A' ' 97' ' ' GLN . 6.6 tp -69.05 -48.88 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.264 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.582 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 75.0 mm-40 -121.23 163.82 17.93 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.026 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.479 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 43.2 t-20 -87.95 110.01 32.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.506 ' HB2' HD12 ' A' ' 58' ' ' ILE . 5.8 Cg_exo -77.28 -15.8 15.79 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 112.81 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -70.12 -33.38 71.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.648 0.261 . . . . 0.0 111.27 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -76.82 -26.68 54.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.147 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.77 -10.03 57.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.249 0.547 . . . . 0.0 110.816 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.51 93.52 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.5 tttm . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.688 -179.218 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 24.0 p . . . . . 0 C--O 1.235 0.321 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 48' ' ' ILE . 64.6 t -54.27 -49.69 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.347 0.404 . . . . 0.0 111.818 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.97 -43.75 98.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.375 . . . . 0.0 111.301 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -71.46 -36.83 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -73.33 -50.09 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.56 -46.24 90.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.32 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.61 -44.82 85.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.479 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.2 -42.4 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.951 0.405 . . . . 0.0 110.386 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.5 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.098 -176.72 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.514 ' HB2' ' OH ' ' A' ' 77' ' ' TYR . 5.3 m . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.414 0.15 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.475 ' CD2' HG23 ' A' ' 81' ' ' VAL . 66.5 m-85 -54.78 -40.0 68.99 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -55.84 -38.84 70.59 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.57 -177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -90.22 -56.62 3.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG23 HG21 ' A' ' 81' ' ' VAL . 27.6 m -59.94 -34.38 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -171.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 41' ' ' VAL . 36.9 tp -60.35 -64.81 0.82 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.115 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.693 ' HB2' HD12 ' A' ' 42' ' ' ILE . 17.4 ptt-85 -66.23 -27.66 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 -174.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.5 -37.32 79.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.443 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -92.72 -33.96 14.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -172.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.2 p -102.22 -35.55 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -171.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.693 HD12 ' HB2' ' A' ' 38' ' ' ARG . 28.8 mt -63.21 -53.5 53.41 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.53 -3.43 13.85 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 121.625 1.55 . . . . 0.0 113.208 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.1 p -107.54 -63.35 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 111.67 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.48 18.65 21.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -58.87 -32.8 71.04 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.023 -175.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 t -84.99 8.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.182 0.491 . . . . 0.0 110.899 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 9' ' ' VAL . 43.7 mm -96.35 129.99 32.01 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.201 177.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.575 ' HG2' ' HD2' ' A' ' 52' ' ' LYS . 21.5 Cg_exo -65.97 147.45 84.7 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 172.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.17 -31.18 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.845 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.22 5.3 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HD2' ' HG2' ' A' ' 49' ' ' PRO . 46.9 mttp -116.69 10.22 14.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 109.993 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 58' ' ' ILE . 3.0 tm? -79.84 102.94 9.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.618 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -100.7 151.27 37.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.855 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.1 -31.09 89.29 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.917 2.411 . . . . 0.0 112.438 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.62 95.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.062 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.22 -33.59 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 53' ' ' LEU . 46.2 mt -68.12 -47.36 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.222 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.57 -40.75 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.04 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -58.15 -46.42 85.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.301 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 3.0 tm? -58.49 -43.81 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.56 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 21.4 m-30 -62.33 -43.49 98.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.418 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -44.72 65.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.57 0.544 . . . . 0.0 111.509 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.2 m -61.66 -45.6 93.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.996 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 19.5 pttp -72.25 -23.37 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.913 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.59 -39.82 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.29 -33.31 63.15 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.228 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -68.21 -7.81 33.56 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.663 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.04 6.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.451 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.8 mt -78.75 159.26 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.5 m -101.51 152.87 38.11 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.235 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HA ' HG22 ' A' ' 75' ' ' VAL . 72.4 Cg_exo -50.49 -39.74 54.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.174 2.582 . . . . 0.0 113.125 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.5 p -58.55 -44.72 89.74 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.278 0.561 . . . . 0.0 111.01 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 78' ' ' ILE . 23.7 mmt180 -67.96 -44.94 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.711 -177.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 72' ' ' PRO . 5.9 m -71.05 -23.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.993 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -68.56 -44.07 75.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.514 ' OH ' ' HB2' ' A' ' 32' ' ' SER . 63.8 t80 -65.37 -38.62 90.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.33 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.573 HG21 ' HE2' ' A' ' 65' ' ' LYS . 77.3 mt -61.81 -31.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.987 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.508 ' HE1' ' O ' ' A' ' 100' ' ' THR . 32.1 t60 -68.78 -42.39 77.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.708 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 77' ' ' TYR . 31.9 m -78.05 -36.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.674 -176.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.3 p -65.73 -35.57 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.879 0.371 . . . . 0.0 110.638 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.97 -47.48 71.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.074 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.81 -38.56 88.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.16 -60.01 4.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.245 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.52 -27.92 58.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.947 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.4 ttm -69.55 -21.08 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 68.9 m -65.78 -33.2 75.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -65.36 -35.52 81.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.721 0.296 . . . . 0.0 110.878 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.63 80.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -64.26 -49.86 70.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.484 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 87' ' ' SER . 41.3 mt-10 -58.98 -41.24 87.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 m -68.08 -9.49 46.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.68 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 -2.81 78.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.597 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.66 -40.08 84.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.526 0.679 . . . . 0.0 109.465 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.403 HD21 ' CG ' ' A' ' 99' ' ' PRO . 17.1 tp -116.9 137.86 51.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.403 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.791 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -89.4 -17.71 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 11.9 pt20 -146.08 -179.81 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.349 . . . . 0.0 111.371 -173.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 101' ' ' GLU . 19.3 t30 -105.79 95.45 10.58 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.773 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 7.2 Cg_exo -73.12 -17.29 24.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.963 2.442 . . . . 0.0 112.015 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.508 ' O ' ' HE1' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -72.56 -14.1 61.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.541 ' HB2' ' ND2' ' A' ' 98' ' ' ASN . 10.7 tp10 -79.09 -39.47 33.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 -5.35 59.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.74 95.2 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.905 175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.426 -175.84 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.713 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 42.8 p . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.425 0.155 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.719 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 59.2 t -61.94 -35.44 68.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.991 0.425 . . . . 0.0 110.247 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.451 ' HG2' HG23 ' A' ' 42' ' ' ILE . 5.9 mt-10 -55.33 -49.77 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.409 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.49 -28.98 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.321 -174.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -66.71 -45.28 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.04 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.37 -31.67 69.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.09 -46.97 82.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.693 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -71.47 -37.95 71.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.309 0.576 . . . . 0.0 109.918 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.3 t90 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.714 -174.019 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 120.759 0.314 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.728 ' HA ' HG22 ' A' ' 36' ' ' VAL . 31.2 p90 -76.79 -28.15 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -60.02 -27.25 66.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.292 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 m -91.73 -56.02 3.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.006 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 33' ' ' TYR . 28.9 m -63.63 -40.88 90.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -170.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.565 ' O ' HG12 ' A' ' 41' ' ' VAL . 74.0 mt -65.4 -59.97 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.079 -175.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.556 ' HB2' HD12 ' A' ' 42' ' ' ILE . 31.8 ptt180 -60.13 -35.88 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.117 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.46 -35.46 81.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.654 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -100.55 -46.02 5.34 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -173.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.6 p -100.43 -20.09 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -167.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD12 ' HB2' ' A' ' 38' ' ' ARG . 8.2 mt -71.04 -50.88 11.27 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.335 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 19.8 Cg_exo -66.97 -19.2 52.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.832 1.688 . . . . 0.0 112.254 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -97.1 -67.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.066 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 53' ' ' LEU . 68.1 mt -106.01 3.77 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.229 -173.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.719 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -59.94 -30.43 69.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.339 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 m -81.35 -1.22 44.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.789 0.328 . . . . 0.0 111.58 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.505 ' O ' HG23 ' A' ' 9' ' ' VAL . 42.1 mm -95.73 128.16 38.77 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.58 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.666 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 34.6 Cg_exo -57.63 140.37 93.23 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.626 2.217 . . . . 0.0 111.504 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -56.94 -40.81 77.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.43 -2.71 43.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 111.341 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 57.6 tttp -103.46 -32.35 9.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.623 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.495 HD21 HD13 ' A' ' 45' ' ' LEU . 2.9 tm? -53.48 123.88 13.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.941 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 56.7 mt-30 -117.81 159.92 40.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.701 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.32 -24.71 69.37 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.777 2.318 . . . . 0.0 112.709 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.65 74.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 45' ' ' LEU . 20.2 m-20 -69.66 -42.31 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.303 0.573 . . . . 0.0 110.086 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.7 mt -69.11 -34.64 64.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.134 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -57.08 -48.01 79.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.76 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -62.41 -39.11 92.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.887 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.55 -49.46 76.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.193 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.497 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.2 m-85 -59.88 -53.13 61.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.633 177.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.95 84.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.689 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.4 t -62.98 -41.33 99.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -79.27 -33.09 43.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.398 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.533 HD21 HG11 ' A' ' 75' ' ' VAL . 3.4 mm? -63.79 -34.07 77.08 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.092 0.473 . . . . 0.0 110.028 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.82 -32.93 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.527 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.9 m -78.01 -22.19 49.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.938 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.37 42.97 4.13 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.24 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 66' ' ' LEU . 1.5 pt? -81.26 161.24 24.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 7.3 m -67.26 129.27 93.82 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.849 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.452 ' HA ' HG12 ' A' ' 75' ' ' VAL . 52.6 Cg_exo -54.69 -34.3 83.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.118 2.545 . . . . 0.0 112.996 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 p -62.22 -30.46 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.96 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.541 ' O ' HG12 ' A' ' 78' ' ' ILE . 18.9 tpp85 -72.0 -52.2 18.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.319 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.533 HG11 HD21 ' A' ' 66' ' ' LEU . 14.6 p -68.95 -27.86 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.004 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.7 -41.74 91.97 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.01 -42.22 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.077 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 74' ' ' ARG . 51.0 mm -56.64 -40.84 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.383 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.497 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 19.3 t-80 -60.35 -45.4 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.5 -36.77 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.729 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.1 p -72.97 -37.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.82 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.41 ' HG ' HG21 ' A' ' 100' ' ' THR . 25.2 tp -73.6 -29.51 62.43 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.451 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 55.2 t-80 -61.11 -51.17 70.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.572 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.48 -50.26 74.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.015 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.08 87.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.018 -176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.22 -25.97 61.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.537 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 51.5 m -71.17 -28.36 64.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.671 0.272 . . . . 0.0 110.423 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -41.71 98.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.684 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -64.61 -41.12 96.41 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.516 176.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.79 -46.09 91.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.012 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 87' ' ' SER . 48.8 mm-40 -65.46 -25.0 67.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.312 -179.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -78.88 -14.9 58.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.635 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.99 -2.9 85.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.906 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.684 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -81.67 -14.48 56.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.238 0.542 . . . . 0.0 110.295 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.7 tp -120.87 123.14 41.82 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.53 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.78 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.2 pt? -77.93 -30.57 50.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.641 -174.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.473 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 4.9 pp0? -138.32 153.8 49.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.72 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 2.1 m-20 -94.74 104.71 15.27 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 15.3 Cg_exo -67.82 -26.04 38.81 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 111.874 -176.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 83' ' ' HIS . 2.1 p -82.74 -9.9 59.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.371 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.06 -33.66 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 109.6 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.56 25.92 11.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.868 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.6 112.46 22.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.17 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 44.1 mttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.579 -177.516 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.712 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 10.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.21 -46.03 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.465 ' HB3' HG12 ' A' ' 42' ' ' ILE . 12.5 pt-20 -68.31 -17.34 64.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.553 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.712 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -65.86 -62.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.789 -178.592 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -71.17 -24.99 62.35 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.781 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.578 HD12 ' HG2' ' A' ' 34' ' ' GLU . 1.5 mm? -63.64 -44.62 93.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.061 0.458 . . . . 0.0 110.334 173.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -73.37 -24.36 60.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 11.1 mmm-85 -73.2 -41.46 63.77 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.741 0.782 . . . . 0.0 108.999 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.773 178.319 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.697 0.284 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.499 ' HA ' HG21 ' A' ' 81' ' ' VAL . 62.0 m-85 -83.46 -35.17 25.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.579 . . . . 0.0 110.603 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.578 ' HG2' HD12 ' A' ' 13' ' ' LEU . 3.1 tm-20 -79.8 -47.74 14.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.072 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -57.08 -51.72 68.14 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 81' ' ' VAL . 16.1 m -59.72 -37.96 73.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.442 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.534 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.3 mp -64.88 -63.69 1.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.808 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.629 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 11.5 ptm180 -59.45 -39.29 83.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.005 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.52 -40.81 96.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -101.12 -52.03 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 37' ' ' LEU . 14.6 m -96.37 -10.61 8.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -168.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.629 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -77.46 -43.65 2.55 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.49 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.619 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 26.0 Cg_exo -64.9 -14.69 46.5 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.819 1.679 . . . . 0.0 112.096 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.8 p -106.6 -67.33 0.95 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.686 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.1 mt -105.82 -2.12 23.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.221 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -63.14 -30.89 78.88 Favored Glycine 0 CA--C 1.513 -0.057 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.283 -175.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 m -88.67 8.78 26.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.804 0.335 . . . . 0.0 111.129 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.5 mt -104.69 126.25 31.79 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.98 137.74 80.05 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.538 2.159 . . . . 0.0 111.868 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -27.81 67.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.924 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.45 -19.59 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.03 0.443 . . . . 0.0 110.874 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -104.95 -10.59 17.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.245 0.545 . . . . 0.0 110.308 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.55 117.01 6.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.659 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -95.41 148.19 34.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.108 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.27 -24.12 72.79 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.639 2.226 . . . . 0.0 111.88 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.82 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.24 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -71.1 -42.32 69.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.365 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.208 0.528 . . . . 0.0 109.844 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.568 ' HG2' ' HB3' ' A' ' 104' ' ' LYS . 0.7 OUTLIER -56.0 -53.47 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.446 174.637 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.62 -39.29 83.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.107 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.4 tm? -57.78 -51.44 69.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.844 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.16 -43.17 99.31 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.955 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.74 84.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.712 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.5 m -63.52 -34.46 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.137 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 3.5 mmmp? -58.35 -49.35 77.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -75.93 -32.42 59.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.336 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -55.71 -39.68 71.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -74.5 -4.4 36.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.427 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.35 40.4 13.38 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.743 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -90.08 147.8 23.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -178.202 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.2 m -60.12 133.99 90.37 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 123.316 0.385 . . . . 0.0 111.192 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 71' ' ' SER . 77.2 Cg_exo -52.21 -35.94 65.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.783 2.988 . . . . 0.0 113.838 -178.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.0 m -65.63 -33.95 77.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 110.381 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.461 ' O ' HD13 ' A' ' 78' ' ' ILE . 22.7 mmt85 -80.77 -2.54 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.395 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -95.51 -42.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -57.4 -53.09 62.04 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.56 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.412 ' HE2' HG11 ' A' ' 36' ' ' VAL . 63.8 t80 -57.1 -54.11 50.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.232 -177.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.476 ' HA ' HG12 ' A' ' 81' ' ' VAL . 1.8 mp -59.04 -40.23 80.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.58 -53.31 53.51 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.935 0.397 . . . . 0.0 110.718 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.58 -53.8 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.253 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.53 HG11 HG21 ' A' ' 36' ' ' VAL . 13.9 p -63.08 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.602 -174.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.56 -42.48 98.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.328 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.447 ' CD2' ' HB ' ' A' ' 100' ' ' THR . 20.7 m80 -60.38 -56.83 16.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.655 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.71 -28.16 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -174.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.75 86.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 110.639 177.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.15 -24.52 54.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.073 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.653 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 66.8 m -59.36 -37.21 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -56.59 -41.27 76.7 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.751 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.2 -39.31 92.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.778 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.562 HH11 ' HB3' ' A' ' 98' ' ' ASN . 55.9 ttp180 -64.24 -51.07 65.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.51 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 87' ' ' SER . 6.1 mm-40 -63.93 -23.38 67.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.141 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -70.18 -25.7 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.043 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.15 2.77 51.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.901 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.751 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -89.31 -18.61 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 110.192 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.3 tp -130.3 117.48 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.468 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.672 ' H ' HD23 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -88.41 -25.52 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.526 -176.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.56 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.3 mt-30 -100.97 169.76 8.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.807 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.562 ' HB3' HH11 ' A' ' 90' ' ' ARG . 6.7 p30 -122.76 98.24 43.21 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.615 0.722 . . . . 0.0 110.659 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.6 -17.05 11.45 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.042 2.495 . . . . 0.0 111.526 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.447 ' HB ' ' CD2' ' A' ' 83' ' ' HIS . 3.5 p -74.6 -50.86 16.26 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.751 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.63 -18.91 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.914 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 11.53 23.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.553 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.09 146.75 25.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HB3' ' HG2' ' A' ' 59' ' ' GLN . 35.7 tttp . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 112.356 -171.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 13.0 p . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 120.809 0.338 . . . . 0.0 111.341 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.583 ' HA ' ' NE1' ' A' ' 12' ' ' TRP . 59.8 t -62.84 -37.09 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.311 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.67 -23.3 67.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.334 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -71.13 -52.13 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.667 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.583 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 61.7 p-90 -79.29 -24.3 42.99 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.023 -176.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 42' ' ' ILE . 24.0 mt -71.89 -34.5 69.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.678 174.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -57.85 -41.89 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 174.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.482 ' NE ' ' HA ' ' A' ' 15' ' ' ARG . 3.3 mmp_? -67.34 -45.13 77.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.313 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.9 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.462 ' O ' HG22 ' A' ' 36' ' ' VAL . 34.8 m . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 111.407 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.07 -42.91 95.55 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -170.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -82.16 -33.19 29.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.391 0.615 . . . . 0.0 109.578 -177.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.9 m -63.91 -54.07 40.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.252 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 32' ' ' SER . 35.2 m -66.21 -30.51 50.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.707 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.605 ' O ' HG12 ' A' ' 41' ' ' VAL . 25.9 tp -65.58 -65.25 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.698 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 37.7 ptt180 -68.26 -37.18 80.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -174.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.31 -33.4 74.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.732 0.301 . . . . 0.0 111.644 -177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -95.2 -48.32 5.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 37' ' ' LEU . 10.0 p -100.62 -18.91 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.698 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -69.49 -47.42 26.24 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.673 -0.642 . . . . 0.0 112.221 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 59.4 Cg_endo -72.96 -5.14 16.68 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 121.519 1.48 . . . . 0.0 112.826 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 41' ' ' VAL . 9.5 p -108.22 -66.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.899 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.762 ' HG ' HD12 ' A' ' 48' ' ' ILE . 11.2 mp -107.72 9.27 29.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -175.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.533 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -63.95 -24.03 68.11 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.873 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -95.61 19.01 11.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 111.182 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.762 HD12 ' HG ' ' A' ' 45' ' ' LEU . 42.2 mt -106.67 125.32 33.04 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.032 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.732 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 21.6 Cg_endo -61.55 144.63 97.91 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.791 2.328 . . . . 0.0 112.064 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.477 HD13 HD13 ' A' ' 94' ' ' LEU . 95.2 mt -69.67 -25.73 64.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -168.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -83.6 -26.61 29.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.773 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.732 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 6.6 tmtm? -78.93 -22.31 45.98 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.27 106.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -93.79 157.93 37.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.763 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.94 -26.1 81.42 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 121.876 1.717 . . . . 0.0 110.572 168.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.31 68.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.915 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -71.42 -36.49 71.34 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.402 HG22 ' CE2' ' A' ' 62' ' ' TYR . 50.4 mt -67.3 -40.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.701 175.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -59.31 -43.93 92.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.437 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.71 -43.03 89.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.917 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.516 HD23 HD13 ' A' ' 45' ' ' LEU . 2.8 tm? -54.41 -46.86 73.25 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.272 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.488 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 27.5 m-85 -65.05 -46.4 81.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.28 -52.04 63.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.661 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.9 m -69.46 -17.24 63.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.09 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 5.4 mmtm -97.61 -28.54 13.89 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.571 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.65 -36.31 83.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.33 -31.86 64.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.25 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.4 m -77.46 -4.91 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.225 -177.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.47 34.98 6.38 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.111 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -76.81 128.93 35.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 75' ' ' VAL . 41.6 m -62.93 128.41 92.07 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.141 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.54 -36.7 40.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.501 2.801 . . . . 0.0 113.148 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -63.06 -41.12 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.283 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.543 ' O ' HG12 ' A' ' 78' ' ' ILE . 60.9 ttm-85 -81.72 -27.55 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.373 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 71' ' ' SER . 94.9 t -60.3 -42.41 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.44 0.638 . . . . 0.0 109.329 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -69.53 -33.67 73.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.159 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.16 -47.46 79.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.687 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 74' ' ' ARG . 50.8 mm -61.91 -35.43 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.26 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.488 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 25.4 t-80 -60.24 -44.44 95.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.233 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.58 -39.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.478 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -69.26 -37.96 76.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.54 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.54 -33.06 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 100' ' ' THR . 0.2 OUTLIER -52.83 -54.07 39.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.536 176.307 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 13.5 pt-20 -77.44 -38.95 48.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.538 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.46 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 0.0 111.568 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -72.13 -30.44 65.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.464 . . . . 0.0 110.122 179.076 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 t -65.75 -30.95 71.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.257 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 96.6 mt-30 -59.3 -39.15 82.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.327 175.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.945 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.54 -41.36 93.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.334 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.751 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 19.9 ttp180 -59.21 -52.34 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.385 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -77.19 1.99 16.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.484 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.6 t -92.79 -8.53 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 172.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 -8.0 79.43 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.026 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.945 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -87.67 -8.24 56.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 110.866 -176.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.751 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 25.5 tp -132.14 135.46 46.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.498 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.822 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.1 pt? -78.22 -32.05 49.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.471 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 12.8 pt20 -145.92 -174.7 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.014 -175.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.83 100.31 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.317 0.579 . . . . 0.0 111.009 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.19 -14.16 37.4 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.74 2.294 . . . . 0.0 111.309 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -65.13 -34.58 78.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.974 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -70.87 -19.74 62.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.14 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.61 4.78 38.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.601 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -93.32 99.6 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.277 0.561 . . . . 0.0 110.126 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 pttt . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.94 -176.627 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 67.5 p . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 120.577 0.227 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.785 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.6 t -62.55 -41.69 92.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.734 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -36.11 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.889 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 51.8 mt-30 -70.08 -33.7 72.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.115 0.483 . . . . 0.0 110.321 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -66.84 -50.37 62.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.822 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.773 HD12 HD11 ' A' ' 42' ' ' ILE . 83.8 mt -66.11 -36.57 83.52 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -54.89 -46.19 74.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.907 0.384 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.71 -35.67 38.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.789 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.154 176.576 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -80.3 -30.84 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.102 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 58.8 mm-40 -55.6 -57.64 11.11 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.313 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -54.56 -63.92 1.0 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.616 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -56.74 -38.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.596 ' O ' HG22 ' A' ' 41' ' ' VAL . 19.6 tp -66.24 -64.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.305 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 18.0 ptp180 -57.85 -43.31 85.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.154 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.1 tp -62.75 -41.65 99.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.967 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -100.15 -42.15 6.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -170.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 37' ' ' LEU . 4.1 m -100.42 -16.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.773 HD11 HD12 ' A' ' 13' ' ' LEU . 15.8 mm -72.68 -53.55 5.53 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 120.217 -0.593 . . . . 0.0 112.305 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 Cg_exo -66.37 -8.56 21.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 121.902 1.735 . . . . 0.0 112.681 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 p -107.19 -67.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.83 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 57' ' ' ASP . 3.5 mm? -98.24 -17.81 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.397 -176.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.785 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.23 -34.5 90.13 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.468 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.6 m -77.91 7.64 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.979 0.419 . . . . 0.0 111.357 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 71.2 mt -116.89 133.61 23.06 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.167 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 32.7 Cg_exo -60.89 145.66 98.71 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.74 2.293 . . . . 0.0 111.547 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.652 ' HB3' HD13 ' A' ' 95' ' ' LEU . 4.9 mp -66.57 -23.78 66.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -175.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -1.88 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.799 0.333 . . . . 0.0 111.246 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 35.5 tttm -123.23 7.75 9.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 173.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.671 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -72.56 99.31 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.446 0.641 . . . . 0.0 109.602 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -94.89 140.5 22.53 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.231 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.07 -34.18 94.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.038 2.492 . . . . 0.0 112.215 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.5 90.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.529 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.07 -32.08 66.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.557 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 HD11 ' A' ' 53' ' ' LEU . 71.2 mt -64.82 -46.07 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.949 174.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.51 -38.04 89.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.139 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -61.08 -38.75 87.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.474 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.83 -46.82 84.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.429 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.6 m-85 -62.91 -47.5 82.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.25 99.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.503 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -67.5 -39.56 85.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.789 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.911 ' HB3' HD12 ' A' ' 70' ' ' LEU . 3.8 mptp? -78.57 -20.35 50.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.276 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.81 -42.05 95.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.6 -27.1 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.652 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.8 m -67.19 -22.05 65.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.59 5.5 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.936 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' ' 65' ' ' LYS . 72.1 mt -86.56 128.22 34.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.607 -0.349 . . . . 0.0 110.166 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.476 ' OG ' ' HG2' ' A' ' 74' ' ' ARG . 24.3 p -70.98 151.14 95.05 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.84 -36.71 43.67 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.364 2.709 . . . . 0.0 113.414 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -69.56 -34.08 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 111.694 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.476 ' HG2' ' OG ' ' A' ' 71' ' ' SER . 30.3 mmm-85 -75.19 -37.75 61.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.306 0.574 . . . . 0.0 109.645 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 80' ' ' VAL . 67.2 ttt180 -58.89 -44.86 91.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.939 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.5 -46.76 86.98 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.783 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.525 ' HA ' HG12 ' A' ' 81' ' ' VAL . 74.5 mt -57.15 -39.65 68.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.697 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.429 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 30.9 t-80 -62.91 -37.06 85.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 76' ' ' ARG . 86.7 t -75.18 -45.38 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.306 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 78' ' ' ILE . 14.2 p -68.71 -38.81 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.02 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.466 ' HG ' HG21 ' A' ' 100' ' ' THR . 32.5 tp -70.01 -35.44 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.426 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 48.2 t-80 -58.5 -49.51 77.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.018 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.5 -56.95 15.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.187 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.42 -46.07 80.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.606 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 mmt -74.7 -19.1 60.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.909 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -70.61 -42.31 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.408 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 15.1 mm-40 -67.38 -41.73 84.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.149 176.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -59.77 -39.99 86.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 175.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.642 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 34.2 ttt180 -59.02 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.985 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.54 -18.36 65.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.657 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m -83.27 0.26 46.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.6 11.59 77.18 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.365 175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.617 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -100.75 -0.14 37.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.204 0.526 . . . . 0.0 110.664 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.652 HD13 ' HB3' ' A' ' 50' ' ' LEU . 13.9 tp -114.76 -98.3 0.44 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.875 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.544 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 44.4 tp 170.94 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.687 0.756 . . . . 0.0 109.211 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.544 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 49.7 mt-30 -144.86 -171.1 3.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.099 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -107.59 94.9 12.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 121.723 0.773 . . . . 0.0 110.52 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 73.2 Cg_endo -82.89 -17.72 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.457 2.105 . . . . 0.0 112.061 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.466 HG21 ' HG ' ' A' ' 82' ' ' LEU . 9.0 p -74.43 -18.71 60.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' HE2' ' A' ' 104' ' ' LYS . 27.6 tt0 -91.7 -27.33 18.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.75 -29.0 40.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.94 134.72 38.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.567 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.756 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 77.7 p . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 1.015 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 60.9 t -56.36 -41.88 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.492 ' HA ' HG13 ' A' ' 42' ' ' ILE . 11.5 pt-20 -68.56 -42.78 77.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.633 0.254 . . . . 0.0 111.322 -177.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.81 -39.42 83.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 0.0 110.571 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -71.71 -38.9 70.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.656 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -58.19 -47.82 82.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -177.724 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.968 0.413 . . . . 0.0 110.553 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -67.22 -32.43 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.1 t90 . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.636 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.542 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.7 m . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HD1' ' H ' ' A' ' 33' ' ' TYR . 8.3 m-85 -51.96 -62.43 1.64 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.771 0.669 . . . . 0.0 112.343 -170.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.565 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -60.77 -46.39 90.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.284 -174.314 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 m -56.47 -54.07 50.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.132 -175.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 32' ' ' SER . 21.5 m -68.05 -39.61 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 CA-C-O 120.986 0.422 . . . . 0.0 111.335 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 41' ' ' VAL . 17.5 tp -65.52 -56.11 14.12 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.627 ' HA ' HD13 ' A' ' 42' ' ' ILE . 15.7 ptm180 -60.56 -37.8 82.46 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -176.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.58 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.614 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -91.77 -46.81 7.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 37' ' ' LEU . 13.0 p -92.0 -32.46 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.627 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.4 mp -62.95 -48.38 84.95 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.51 -37.78 90.12 Favored 'Trans proline' 0 C--N 1.355 0.868 0 C-N-CA 122.108 1.872 . . . . 0.0 113.696 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 t -107.51 -51.19 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 57' ' ' ASP . 11.1 mp -95.02 -9.23 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.127 -0.358 . . . . 0.0 111.358 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 1.015 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.65 -30.74 78.54 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.192 -176.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -80.81 5.31 16.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.7 mt -102.28 131.68 22.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.756 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 11.2 Cg_endo -57.3 144.1 91.97 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.405 2.07 . . . . 0.0 111.586 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD23 HG22 ' A' ' 9' ' ' VAL . 90.3 mt -53.59 -39.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -80.76 -1.68 43.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.635 0.255 . . . . 0.0 111.6 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HB2' ' HG2' ' A' ' 49' ' ' PRO . 33.2 tttm -106.37 -3.46 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.345 0.593 . . . . 0.0 109.697 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.799 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -69.32 129.97 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.683 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -118.51 144.45 35.31 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.639 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 30.2 Cg_endo -63.77 -24.18 68.78 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.03 2.486 . . . . 0.0 112.589 -179.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.56 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.526 ' HB3' HD21 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.05 -30.14 63.49 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.944 178.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.799 HD11 HD11 ' A' ' 53' ' ' LEU . 62.8 mt -63.16 -46.85 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.215 0.531 . . . . 0.0 110.074 175.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.83 -36.48 84.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.174 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -66.48 -35.98 81.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.479 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.92 -46.78 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.458 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.2 m-85 -60.35 -48.91 79.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.78 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.15 -46.55 90.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.298 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.7 t -65.85 -39.18 90.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HB3' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -79.59 -21.26 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.569 0.223 . . . . 0.0 111.353 -178.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.99 -36.89 83.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.87 -22.98 66.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.964 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -72.83 -20.61 61.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.103 0.478 . . . . 0.0 110.444 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.66 49.55 0.96 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.798 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 65' ' ' LYS . 93.3 mt -99.26 139.91 34.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.7 m -72.91 145.76 86.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.293 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.56 -43.26 39.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.2 2.6 . . . . 0.0 112.99 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -32.33 73.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -73.71 -41.07 63.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.901 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.07 -36.01 76.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.825 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 80' ' ' VAL . 70.2 ttt180 -56.88 -46.62 81.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.385 176.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.61 -42.45 96.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.623 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.34 -41.47 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.335 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 47.2 t-80 -65.57 -39.13 91.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 76' ' ' ARG . 96.1 t -69.2 -53.33 26.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.217 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG21 ' HA ' ' A' ' 33' ' ' TYR . 14.9 p -62.14 -37.47 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 0.0 110.915 -176.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 100' ' ' THR . 53.9 tp -65.85 -40.38 91.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.177 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -69.01 -43.75 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.501 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -67.69 -42.0 82.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.754 -175.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.74 -43.09 31.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.786 0.327 . . . . 0.0 111.347 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 22.2 mmt -83.02 5.29 22.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -175.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 55.1 p -66.35 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -57.13 -36.08 70.25 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.783 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB1' HD23 ' A' ' 95' ' ' LEU . . . -61.88 -48.27 81.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.155 0.502 . . . . 0.0 110.715 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.82 -44.84 76.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 87' ' ' SER . 44.0 mt-10 -66.41 -30.33 70.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.681 -176.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -84.41 -4.08 58.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.28 0.562 . . . . 0.0 110.006 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.63 9.94 86.62 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.32 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 3.4 pp -85.72 -15.74 41.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.067 0.461 . . . . 0.0 109.959 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.567 HD23 ' HB1' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -113.81 138.4 50.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 170.559 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.494 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 37.3 tp -58.47 -54.47 46.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.618 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 54.3 mt-30 -138.85 -171.01 2.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.249 -174.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -103.76 95.49 7.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.618 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 3.2 Cg_exo -77.24 -23.09 10.58 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.28 2.653 . . . . 0.0 112.205 -177.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.516 HG22 ' HG ' ' A' ' 82' ' ' LEU . 15.6 p -71.85 -21.03 61.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.309 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -91.89 -26.29 18.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.95 58.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.015 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.63 115.39 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.992 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.2 mttp . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.68 -172.885 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.635 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.9 p . . . . . 0 N--CA 1.446 -0.662 0 CA-C-O 121.018 0.437 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.814 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 21.6 t -68.38 -35.97 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.717 -178.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' GLN . 9.2 pt-20 -61.28 -41.15 96.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.873 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 47.3 tt0 -77.25 -39.85 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.673 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -63.26 -52.34 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.749 HD13 HD21 ' A' ' 37' ' ' LEU . 75.9 mt -56.97 -53.56 56.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.26 -38.65 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.735 0.303 . . . . 0.0 111.61 -174.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -72.87 -53.66 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.084 0.469 . . . . 0.0 110.177 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.684 -174.528 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.473 ' O ' HG22 ' A' ' 36' ' ' VAL . 15.7 m . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -57.84 -49.83 75.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.683 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 30.9 tt0 -63.18 -46.43 87.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.107 0.48 . . . . 0.0 110.238 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -57.94 -61.57 2.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.814 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 32' ' ' SER . 33.4 m -63.16 -33.52 61.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.479 -174.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.749 HD21 HD13 ' A' ' 13' ' ' LEU . 20.0 tp -62.53 -68.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.578 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 38.2 ptt180 -63.37 -41.74 98.83 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.417 -173.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.38 -38.45 83.94 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.285 0.366 . . . . 0.0 111.734 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -100.53 -55.73 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -174.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 37' ' ' LEU . 18.8 m -99.32 -10.8 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -165.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.58 ' HB ' ' HA ' ' A' ' 38' ' ' ARG . 1.2 mp -72.71 -48.48 8.67 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.078 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.2 Cg_endo -72.16 -10.36 25.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.776 1.651 . . . . 0.0 112.763 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 p -107.12 -67.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.872 -177.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 57' ' ' ASP . 54.7 mt -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 -175.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.814 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -64.4 -22.6 67.68 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.855 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -90.45 3.61 53.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.917 0.389 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -101.57 128.58 28.69 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.316 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.494 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 51.5 Cg_exo -56.33 143.59 85.59 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.848 2.365 . . . . 0.0 112.333 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 94' ' ' LEU . 98.1 mt -57.73 -33.45 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.772 -177.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -87.74 5.44 39.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -177.607 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 84.5 tttt -115.18 -30.85 6.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.26 119.75 3.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.503 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -99.37 156.52 35.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.262 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.64 -28.22 76.73 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.074 1.849 . . . . 0.0 110.601 171.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.39 82.69 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.953 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' HD22 ' A' ' 45' ' ' LEU . 38.4 m-20 -62.11 -45.95 91.2 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.187 177.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.4 HG23 HD23 ' A' ' 82' ' ' LEU . 62.7 mt -64.46 -43.58 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.513 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.83 -41.76 98.19 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.403 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -65.17 -35.42 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.05 -49.11 76.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 43.4 m-85 -67.52 -44.88 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.736 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.25 82.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.772 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.7 m -66.96 -33.17 74.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.604 ' HB3' HD12 ' A' ' 70' ' ' LEU . 3.7 mptp? -82.32 -27.98 31.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.074 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.21 -33.42 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.56 -25.34 68.0 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.843 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 m -79.23 -14.7 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.905 0.383 . . . . 0.0 110.514 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.64 55.58 0.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.565 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 65' ' ' LYS . 40.8 mt -99.0 135.12 40.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.236 0.541 . . . . 0.0 111.745 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.6 t -67.96 144.91 97.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.974 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.62 -32.57 36.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.468 2.779 . . . . 0.0 112.963 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 p -71.24 -37.79 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.524 0.202 . . . . 0.0 111.385 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -44.82 81.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.18 0.514 . . . . 0.0 109.685 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.5 t -62.97 -34.14 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.293 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -68.23 -35.42 77.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.06 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.88 -46.52 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.461 ' HA ' HG12 ' A' ' 81' ' ' VAL . 59.9 mt -64.95 -30.45 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.593 0.711 . . . . 0.0 109.699 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.546 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 49.9 t-80 -63.17 -53.81 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.379 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.37 -41.48 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -67.04 -42.48 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.689 0.281 . . . . 0.0 111.119 -176.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.4 HD23 HG23 ' A' ' 58' ' ' ILE . 20.7 tp -71.56 -39.43 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.62 -177.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.438 ' HA ' ' CG2' ' A' ' 100' ' ' THR . 3.3 m80 -67.54 -42.17 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.296 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.66 -44.89 55.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.94 95.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.912 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.456 ' HB2' HG21 ' A' ' 100' ' ' THR . 54.1 mtt -72.41 -23.53 61.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.586 0.232 . . . . 0.0 111.398 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 58.5 m -66.51 -24.13 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.184 0.516 . . . . 0.0 110.134 176.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -69.84 -36.55 75.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.066 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.79 82.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.355 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -56.39 -52.69 63.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.714 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.07 -16.44 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.668 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -89.72 -9.36 49.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.3 5.32 79.82 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 50' ' ' LEU . 83.7 mt -84.26 -28.31 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.093 0.473 . . . . 0.0 110.263 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 97' ' ' GLN . 23.8 tp -120.18 129.15 53.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.099 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.815 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.3 pt? -84.6 -25.81 28.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 0.0 111.717 -172.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.47 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 48.8 mt-30 -133.6 179.67 6.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -113.21 93.67 27.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.133 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -77.69 -12.33 16.65 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 123.066 2.51 . . . . 0.0 110.934 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.456 HG21 ' HB2' ' A' ' 86' ' ' MET . 14.8 p -66.89 -58.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.18 -16.03 61.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.0 110.783 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.59 -14.48 56.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.651 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.19 98.06 9.7 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 mttm . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.084 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.611 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 1.3 p . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.605 0.24 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.488 ' HA ' HD21 ' A' ' 50' ' ' LEU . 58.8 t -55.55 -54.96 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.129 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' OE2' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -69.29 -21.77 63.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.3 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HG2' ' OE2' ' A' ' 10' ' ' GLU . 88.5 mm-40 -60.9 -49.3 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.565 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.466 ' HB3' HD11 ' A' ' 50' ' ' LEU . 84.9 t90 -77.06 -43.34 34.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.04 -48.86 79.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.57 -174.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.61 -45.02 94.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.606 0.241 . . . . 0.0 110.476 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -63.23 -51.46 66.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -178.084 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.479 ' HB2' HG21 ' A' ' 81' ' ' VAL . 3.1 p90 -64.93 -28.01 69.24 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.452 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 tt0 -60.5 -41.66 94.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -71.75 -53.29 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.3 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 33' ' ' TYR . 19.9 m -62.6 -37.22 78.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.588 -173.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.59 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.4 tp -64.05 -67.48 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.83 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.601 ' HA ' HD13 ' A' ' 42' ' ' ILE . 4.7 ptp180 -56.81 -38.25 72.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.217 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.31 -38.0 87.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.66 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -100.38 -47.85 4.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.8 p -84.8 -25.42 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -169.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.4 mp -70.55 -50.27 14.29 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.5 -9.64 26.04 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.053 1.835 . . . . 0.0 113.642 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 45' ' ' LEU . 6.3 t -102.25 -55.57 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 -179.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD22 HD21 ' A' ' 53' ' ' LEU . 4.0 pp -125.37 5.24 7.69 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.469 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.66 -15.98 71.54 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.004 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -90.78 4.21 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 110.325 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -110.4 134.55 20.79 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.184 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.611 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 53.3 Cg_exo -53.99 139.82 70.03 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.789 2.326 . . . . 0.0 112.269 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 9' ' ' VAL . 81.0 mt -56.32 -39.42 72.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.199 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -86.79 9.09 20.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.936 0.398 . . . . 0.0 111.252 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HE2' ' HG2' ' A' ' 49' ' ' PRO . 21.3 ttmm -115.19 -9.78 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.403 0.621 . . . . 0.0 109.399 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.486 HD21 HD22 ' A' ' 45' ' ' LEU . 3.2 tm? -67.74 122.13 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.761 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -101.15 139.46 20.49 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.593 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.529 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 11.2 Cg_endo -55.57 -28.69 66.28 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.3 2.666 . . . . 0.0 112.368 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.9 70.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HA ' ' HB3' ' A' ' 60' ' ' ARG . 2.2 t70 -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.63 -42.97 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.468 0.652 . . . . 0.0 109.69 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.44 -38.36 87.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.467 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.466 ' HB3' ' HA ' ' A' ' 57' ' ' ASP . 11.2 ttt180 -61.52 -38.63 88.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.248 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.6 -51.46 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.038 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 29.0 m-85 -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.19 59.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.044 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -64.61 -43.12 94.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.201 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.37 -42.79 96.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 0.0 110.143 175.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.66 -27.95 68.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.413 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -73.39 -19.19 61.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.09 20.09 5.34 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.34 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.2 tp -73.17 139.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -60.87 123.98 77.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HA ' HG12 ' A' ' 75' ' ' VAL . 53.1 Cg_exo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.165 2.577 . . . . 0.0 112.652 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 p -68.05 -40.46 82.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.101 0.476 . . . . 0.0 111.01 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 78' ' ' ILE . 97.2 mtt180 -72.74 -38.05 67.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 72' ' ' PRO . 8.3 p -71.58 -24.09 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.195 0.521 . . . . 0.0 110.198 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -68.63 -36.24 78.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.958 173.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -70.04 -42.62 72.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.943 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 75' ' ' VAL . 92.1 mt -57.38 -41.42 78.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.613 176.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.454 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 85.5 t60 -56.94 -46.57 81.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 p -78.75 -34.88 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 33' ' ' TYR . 12.4 p -77.1 -34.82 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.755 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 tt -67.93 -38.54 83.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.524 ' HA ' HG21 ' A' ' 100' ' ' THR . 53.6 t-80 -55.47 -43.17 75.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.536 175.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.56 -52.8 55.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.75 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -172.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.0 tpt -70.15 -21.18 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -171.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.5 m -67.43 -19.57 65.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 110.91 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.93 -19.4 61.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.37 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 94' ' ' LEU . . . -64.63 -32.52 74.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -73.43 -35.91 65.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.107 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 t -71.89 -15.53 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.66 8.52 84.5 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.923 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 4.2 pp -83.97 -20.82 32.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.093 0.473 . . . . 0.0 110.527 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 95' ' ' LEU . 14.4 tp -124.17 132.2 53.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.805 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.3 pt? -79.44 -25.78 41.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.769 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -134.83 177.14 8.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.486 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.415 ' HB3' ' HG2' ' A' ' 101' ' ' GLU . 19.1 t30 -108.27 116.32 56.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -80.48 -11.26 13.09 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.617 2.211 . . . . 0.0 113.083 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.524 HG21 ' HA ' ' A' ' 83' ' ' HIS . 12.4 p -76.78 -19.72 57.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 111.685 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 98' ' ' ASN . 17.0 mm-40 -72.29 -26.96 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 0.0 110.802 -176.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.529 ' HB3' ' HB2' ' A' ' 55' ' ' PRO . . . -95.41 10.31 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.034 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.4 102.9 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.827 -176.133 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.746 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 1.8 m . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.499 ' H ' HG22 ' A' ' 8' ' ' THR . 41.1 t -57.38 -45.51 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.676 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.746 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -64.17 -34.75 78.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -72.15 -42.55 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.434 ' HB2' HD11 ' A' ' 50' ' ' LEU . 24.0 t90 -64.38 -52.06 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.72 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.98 -38.61 79.52 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.164 0.29 . . . . 0.0 111.001 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -59.92 -45.09 93.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -76.03 -37.6 58.2 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.575 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.9 t90 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.358 -177.239 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.46 ' HB2' HG23 ' A' ' 81' ' ' VAL . 50.5 p90 -71.97 -20.11 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.249 -0.282 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' CD ' ' HE ' ' A' ' 38' ' ' ARG . 14.7 tm-20 -71.77 -32.54 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -63.6 -56.01 19.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.765 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.93 -37.36 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.733 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.595 ' O ' HG12 ' A' ' 41' ' ' VAL . 70.7 mt -59.18 -66.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.975 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HB2' HD12 ' A' ' 42' ' ' ILE . 8.0 ptp180 -59.78 -33.94 72.36 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -176.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.72 -34.79 78.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.321 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.424 ' O ' HG22 ' A' ' 44' ' ' THR . 78.9 m80 -100.09 -45.28 5.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 37' ' ' LEU . 11.6 p -80.73 -37.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 38' ' ' ARG . 47.2 mt -66.52 -50.3 47.65 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 29.7 Cg_exo -63.34 -30.81 73.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.802 1.668 . . . . 0.0 113.847 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.566 HG23 HD13 ' A' ' 45' ' ' LEU . 7.0 t -107.26 -22.97 12.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -171.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.784 ' HG ' HD12 ' A' ' 48' ' ' ILE . 5.4 mp -127.52 23.48 6.32 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.25 3.36 58.65 Favored Glycine 0 C--N 1.329 0.151 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.838 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -106.02 8.44 32.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.446 0.641 . . . . 0.0 109.532 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.784 HD12 ' HG ' ' A' ' 45' ' ' LEU . 62.6 mt -117.68 115.44 37.25 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.055 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.726 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 23.8 Cg_exo -62.99 154.53 66.42 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.967 2.445 . . . . 0.0 111.786 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 12' ' ' TRP . 84.2 mt -57.18 -37.3 71.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.739 -176.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -88.6 3.49 50.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.338 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.726 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 50.5 tttp -105.2 -15.91 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 58' ' ' ILE . 2.9 tm? -63.57 105.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.815 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 13.8 mm100 -105.57 160.91 24.45 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.083 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.04 -29.91 67.45 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.698 2.266 . . . . 0.0 112.177 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . . . -67.56 -28.75 68.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 111.071 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.42 -30.49 42.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.132 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 99' ' ' PRO . 59.1 mt -74.33 -38.75 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.879 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.46 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 10.7 pt20 -66.84 -32.25 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.963 176.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -58.02 -42.5 85.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.37 -58.08 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.93 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.596 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.8 m-85 -57.81 -48.75 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.735 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.16 86.09 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -61.47 -35.73 78.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.981 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.864 ' HB3' HD12 ' A' ' 70' ' ' LEU . 10.0 mptt -88.23 -29.61 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.723 -177.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.19 -28.59 69.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.882 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.3 m -72.67 -12.85 61.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.5 13.39 7.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.426 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.864 HD12 ' HB3' ' A' ' 65' ' ' LYS . 42.4 mt -73.77 142.8 46.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.228 0.514 . . . . 0.0 110.525 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -83.54 149.01 56.61 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.17 -30.51 41.72 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.943 2.428 . . . . 0.0 112.764 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -70.98 -44.41 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.579 ' HG2' HD22 ' A' ' 70' ' ' LEU . 10.8 tpp180 -60.56 -45.42 93.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 -36.16 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.917 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.01 -38.0 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.906 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.61 -49.38 75.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.181 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.545 ' HA ' HG12 ' A' ' 81' ' ' VAL . 37.2 mm -53.81 -37.79 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.072 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.596 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 54.2 t-80 -62.26 -43.83 97.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 83' ' ' HIS . 61.9 t -69.47 -46.17 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.065 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 78' ' ' ILE . 8.3 p -69.99 -31.07 46.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.206 -177.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.5 tp -69.31 -33.19 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.242 0.544 . . . . 0.0 109.578 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 85.2 t60 -60.55 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.846 174.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.81 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.681 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.51 -51.76 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.457 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -33.03 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.056 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.7 m -64.46 -41.79 96.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.539 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -61.96 -41.62 98.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.121 0.486 . . . . 0.0 110.268 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 15.0 ttp180 -54.63 -54.63 38.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.121 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.53 9.24 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.872 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -117.7 7.88 12.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.213 0.53 . . . . 0.0 109.786 173.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 12.93 83.35 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.847 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.21 -17.48 23.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.411 . . . . 0.0 110.572 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 24.2 tp -142.34 125.37 16.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.375 177.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.703 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -79.57 -18.64 51.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -133.32 168.71 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.603 0.24 . . . . 0.0 111.165 -174.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.17 95.46 15.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.63 0.729 . . . . 0.0 109.706 169.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 13.0 Cg_exo -69.76 -21.2 33.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.771 2.314 . . . . 0.0 112.62 -172.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.3 p -62.64 -37.37 86.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.712 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.26 -18.98 61.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.24 -6.68 19.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.95 96.71 10.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.401 0.619 . . . . 0.0 110.781 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 18.8 pttm . . . . . 0 C--N 1.316 -0.857 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.573 179.868 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.537 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 64.1 t -58.13 -49.01 83.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -34.49 76.1 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.67 -172.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -66.77 -43.06 85.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.884 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.482 ' HE3' HD22 ' A' ' 13' ' ' LEU . 21.8 t90 -65.68 -51.08 62.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.482 HD22 ' HE3' ' A' ' 12' ' ' TRP . 4.5 mm? -63.84 -45.58 88.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -58.18 -36.91 73.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.059 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -65.52 -46.52 79.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.619 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.7 t-105 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -177.713 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.752 0.311 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -74.11 -17.39 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.643 0.258 . . . . 0.0 111.213 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -79.07 -30.16 43.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 m -61.49 -59.5 5.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.308 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.526 HG21 ' HE2' ' A' ' 77' ' ' TYR . 29.1 m -61.41 -36.1 70.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.035 0.445 . . . . 0.0 110.859 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.8 tp -65.3 -56.95 9.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.353 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.667 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -61.06 -38.98 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.656 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.93 -41.63 91.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.008 -172.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -92.24 -48.8 6.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 42' ' ' ILE . 14.8 p -100.49 -20.5 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.667 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.5 mp -69.91 -49.85 18.69 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.844 -0.535 . . . . 0.0 112.094 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.632 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 6.6 Cg_exo -75.55 -5.0 16.04 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.073 1.849 . . . . 0.0 112.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -107.09 -67.29 0.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.822 0.344 . . . . 0.0 111.69 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.68 3.18 34.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 0.0 110.799 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.537 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -65.28 -27.42 72.4 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.057 -178.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 m -95.74 23.93 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.039 0.447 . . . . 0.0 111.112 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 9' ' ' VAL . 68.3 mt -118.69 131.87 24.11 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.56 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.47 144.83 90.97 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.625 2.217 . . . . 0.0 112.099 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -83.29 -17.58 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.499 177.492 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -99.35 -16.67 18.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.846 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -59.83 121.02 10.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -109.0 146.6 34.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.731 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.03 -27.95 86.01 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.739 2.293 . . . . 0.0 111.75 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.94 -47.23 77.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.33 -29.53 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.299 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.846 HD11 HD11 ' A' ' 53' ' ' LEU . 59.8 mt -69.16 -47.53 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.382 . . . . 0.0 110.221 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.36 -37.61 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.215 0.531 . . . . 0.0 109.79 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -59.72 -45.48 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.737 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.63 -50.87 64.78 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.94 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.421 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 35.9 m-85 -61.07 -54.39 45.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.106 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.68 99.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.825 -173.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' HB3' ' A' ' 67' ' ' GLU . 38.6 t -66.81 -44.98 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.677 -176.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -87.6 -21.44 25.35 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.136 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.74 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 65.6 tp -63.56 -31.95 73.27 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 167.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 64' ' ' SER . 30.0 tt0 -73.25 -35.66 66.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.723 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -66.07 -39.06 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.17 42.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.631 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.74 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 62.6 mt -99.13 156.22 17.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.087 0.443 . . . . 0.0 110.683 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -95.69 147.81 33.59 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.747 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.42 -36.55 88.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.849 2.366 . . . . 0.0 112.042 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.57 -37.22 84.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.645 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.8 tpt180 -73.82 -36.98 65.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.645 HG21 HD13 ' A' ' 66' ' ' LEU . 86.8 t -63.25 -41.88 94.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.718 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.526 ' HE2' HG21 ' A' ' 36' ' ' VAL . 85.7 t80 -59.85 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 74' ' ' ARG . 76.0 mt -59.33 -40.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.421 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 26.8 t-80 -62.84 -46.89 85.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.083 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.17 -34.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.42 -39.66 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.476 ' HG ' HG21 ' A' ' 100' ' ' THR . 51.9 tp -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 177.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.604 ' CD2' ' HB2' ' A' ' 101' ' ' GLU . 53.2 t-80 -59.61 -48.31 82.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.408 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.74 -50.46 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.433 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 88' ' ' GLN . . . -68.01 -32.15 72.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.677 -173.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.51 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 54.3 ttm -78.07 -19.2 54.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.38 . . . . 0.0 110.725 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 74.4 m -61.02 -38.75 87.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.324 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 85' ' ' ALA . 12.8 pt20 -65.35 -25.67 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.034 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -75.35 -37.41 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.506 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 61.1 ttp180 -65.37 -49.88 67.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.964 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 87' ' ' SER . 13.3 mm-40 -63.41 -29.82 71.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.958 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -65.65 -22.69 66.67 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.783 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.0 -15.69 51.25 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.683 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.558 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.2 pp -74.91 -18.99 60.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 0.0 110.111 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 40.0 tp -130.14 132.74 46.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.614 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.695 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.1 pt? -96.9 -28.63 14.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.731 0.3 . . . . 0.0 111.528 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.58 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 47.8 mt-30 -110.43 153.2 25.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.639 -175.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -110.23 94.62 18.85 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HG2' HD12 ' A' ' 53' ' ' LEU . 7.2 Cg_exo -74.26 -18.79 20.42 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.183 2.589 . . . . 0.0 113.169 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.476 HG21 ' HG ' ' A' ' 82' ' ' LEU . 78.8 p -63.81 -40.23 96.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 0.0 111.315 -176.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.604 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 10.8 tt0 -85.31 -24.59 27.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.437 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.3 63.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.616 0.722 . . . . 0.0 109.724 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.35 95.92 10.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.307 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 33.0 ttpt . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.589 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.686 0.279 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.505 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 46.9 t -70.45 -51.55 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.329 -175.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -20.97 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 111.563 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.589 ' HG2' ' HB ' ' A' ' 8' ' ' THR . 18.8 mm-40 -68.78 -54.41 16.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.969 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.451 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 65.1 p-90 -76.55 -22.64 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.411 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -45.75 91.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.206 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.48 -48.24 82.39 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -66.13 -38.81 89.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -177.908 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.982 0.42 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.591 ' HA ' HG22 ' A' ' 36' ' ' VAL . 22.7 p90 -68.16 -15.13 63.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -64.61 -42.59 95.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 110.146 174.251 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 m -75.91 -48.61 20.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.915 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 33' ' ' TYR . 18.9 m -56.38 -37.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.419 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.0 tp -61.89 -66.3 0.56 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.52 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.639 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 29.6 ptt85 -62.83 -30.63 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.631 -175.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.95 -34.96 78.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.542 0.21 . . . . 0.0 111.558 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -99.53 -41.25 7.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -174.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 37' ' ' LEU . 12.8 p -100.42 -25.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -171.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.639 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -66.07 -43.27 56.04 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.762 -0.586 . . . . 0.0 112.255 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 16.5 Cg_exo -70.61 -13.84 32.89 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 112.688 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' HB ' HD22 ' A' ' 45' ' ' LEU . 16.8 p -107.39 -68.2 0.91 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 HD12 ' A' ' 48' ' ' ILE . 2.6 mm? -103.39 -7.16 21.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.797 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -65.73 -21.4 69.17 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 113.433 -175.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -98.3 9.02 44.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 110.027 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.439 HD12 HD12 ' A' ' 45' ' ' LEU . 68.6 mt -106.28 129.39 24.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.231 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 9.8 Cg_endo -54.13 137.01 69.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 123.13 2.553 . . . . 0.0 112.715 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.23 -26.88 61.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.456 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -77.65 -17.85 57.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.3 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.518 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 62.6 tttp -115.7 -3.06 12.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 0.0 110.404 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.879 HD11 HD11 ' A' ' 58' ' ' ILE . 3.2 tm? -65.43 119.9 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.803 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -106.68 138.79 19.87 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.083 -177.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 58' ' ' ILE . 18.5 Cg_endo -59.94 -30.51 91.91 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.069 2.513 . . . . 0.0 112.482 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.14 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.78 -25.67 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.157 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.879 HD11 HD11 ' A' ' 53' ' ' LEU . 73.2 mt -69.34 -47.99 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.166 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -65.46 -37.37 86.68 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -55.5 -45.49 77.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.556 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.79 -48.68 74.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 31.1 m-85 -62.91 -45.32 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.722 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.86 87.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.057 0.456 . . . . 0.0 111.086 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -65.82 -35.58 81.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.047 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.97 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.785 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.65 -20.91 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.165 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.6 t -76.22 -42.54 45.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.382 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.86 43.84 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.03 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 mt -99.14 139.84 34.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.36 . . . . 0.0 110.508 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -83.65 146.12 49.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.41 -39.87 16.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.608 2.872 . . . . 0.0 113.457 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -64.69 -44.31 90.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.076 0.465 . . . . 0.0 111.133 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 78' ' ' ILE . 73.4 mtp180 -66.24 -38.79 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.282 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.38 -43.32 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.809 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.29 -23.59 64.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.61 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HA ' HG12 ' A' ' 80' ' ' VAL . 35.7 t80 -70.97 -46.89 61.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 74' ' ' ARG . 43.7 mm -59.36 -34.44 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.515 0.674 . . . . 0.0 110.33 174.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.59 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.7 t-80 -67.81 -42.27 81.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.071 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 77' ' ' TYR . 7.7 p -79.73 -29.47 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.537 -174.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 33' ' ' TYR . 11.1 p -73.08 -39.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.465 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.631 ' HG ' HG21 ' A' ' 100' ' ' THR . 31.8 tp -70.61 -31.61 68.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.297 0.57 . . . . 0.0 109.515 176.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.707 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -66.32 -51.57 55.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.91 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.78 69.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.116 -175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.3 mtt -74.55 -17.35 60.75 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -69.44 -35.56 75.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 109.969 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.26 -40.23 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.37 85.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 53.7 ttp85 -59.13 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.808 176.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.24 -2.56 45.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.995 0.426 . . . . 0.0 111.189 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.4 t -95.09 -3.94 47.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.097 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.03 20.4 65.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -94.17 -27.45 16.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.11 0.481 . . . . 0.0 110.103 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 20.8 tp -142.87 139.98 31.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.455 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.804 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.9 pt? -92.38 -14.94 27.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -174.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.554 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.6 mt-30 -133.69 178.07 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -120.6 96.29 48.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.773 0.797 . . . . 0.0 110.548 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.31 -19.64 19.45 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.831 2.354 . . . . 0.0 112.885 -174.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.631 HG21 ' HG ' ' A' ' 82' ' ' LEU . 5.0 p -71.28 -33.65 69.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.973 0.416 . . . . 0.0 111.399 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -82.98 -26.08 31.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -20.37 59.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.244 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.05 92.61 9.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.637 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.765 -178.589 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.643 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 81.2 t -60.2 -38.79 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.673 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HB3' HG23 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -74.42 -30.34 61.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.807 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.2 -47.76 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -61.57 -44.64 96.65 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.669 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -59.49 -47.25 86.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.529 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.84 -44.0 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.1 0.476 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -62.99 -46.56 87.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.102 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.511 ' HZ2' ' HB3' ' A' ' 88' ' ' GLN . 64.9 t-105 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.686 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.234 0.285 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.46 ' HB2' HG23 ' A' ' 81' ' ' VAL . 4.6 p90 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 tp10 -65.28 -44.81 86.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -66.42 -53.34 36.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.604 -176.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -61.65 -38.11 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 120.715 0.293 . . . . 0.0 111.652 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 41' ' ' VAL . 22.5 tp -61.22 -63.95 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 -177.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.708 ' HB3' HD12 ' A' ' 42' ' ' ILE . 11.3 ptp180 -63.41 -38.53 91.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.816 -176.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.63 -37.95 80.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -100.6 -51.65 3.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.7 p -101.17 -17.85 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 38' ' ' ARG . 2.1 mt -71.36 -48.19 12.93 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -174.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.663 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 4.1 Cg_exo -77.47 -6.68 16.48 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.742 1.628 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.503 HG21 ' HE3' ' A' ' 65' ' ' LYS . 20.6 p -100.93 -67.23 0.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.527 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.1 mt -93.45 3.21 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 0.0 111.011 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.643 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -69.2 -12.44 65.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.417 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -95.76 2.0 53.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.863 0.363 . . . . 0.0 110.516 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.3 mt -105.33 119.1 54.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.193 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.56 139.42 75.63 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.671 2.247 . . . . 0.0 112.074 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB3' HD21 ' A' ' 95' ' ' LEU . 86.6 mt -57.66 -33.77 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.009 -175.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.69 -1.91 52.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -107.77 -33.26 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.58 118.23 2.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.272 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -109.28 161.68 22.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.511 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.07 -31.86 91.49 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.738 2.292 . . . . 0.0 112.131 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.12 96.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.204 0.526 . . . . 0.0 110.099 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.447 HG22 ' CE2' ' A' ' 62' ' ' TYR . 52.4 mt -67.91 -43.52 85.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.004 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.363 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -57.82 -42.38 84.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.441 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.479 HD22 ' HD3' ' A' ' 65' ' ' LYS . 2.9 tm? -57.07 -54.93 41.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.967 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.512 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 21.7 m-85 -58.89 -46.6 87.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.27 -50.7 71.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.441 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.7 t -65.57 -38.71 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HE3' HG21 ' A' ' 44' ' ' THR . 3.7 mptp? -78.12 -36.69 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.44 -177.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.722 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 62.1 tp -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.75 -30.87 69.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.057 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 t -76.8 -10.03 59.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.65 51.66 0.41 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.115 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.722 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 29.3 mt -98.65 152.29 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.603 0.24 . . . . 0.0 110.379 174.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.466 ' HB3' ' HD3' ' A' ' 74' ' ' ARG . 9.3 t -90.32 136.2 28.79 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.632 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 76.7 Cg_exo -51.3 -33.45 45.56 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.089 2.526 . . . . 0.0 112.832 -176.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -60.42 -44.8 95.4 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.365 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.587 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.1 mpt_? -71.36 -39.57 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.221 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.581 HG21 HD13 ' A' ' 66' ' ' LEU . 52.4 t -56.12 -39.78 60.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 123.36 0.413 . . . . 0.0 110.381 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 68.5 mtt-85 -63.29 -45.54 90.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.515 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.94 -35.27 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.016 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 74' ' ' ARG . 73.0 mt -61.72 -34.7 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.883 0.373 . . . . 0.0 110.189 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.512 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 62.9 t-80 -67.21 -40.43 86.43 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 76' ' ' ARG . 84.5 t -64.32 -51.81 63.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 78' ' ' ILE . 10.2 p -65.81 -37.13 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.154 -177.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.24 -42.27 93.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -64.68 -42.82 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.002 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.06 -52.65 64.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.389 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 -44.05 63.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.5 tpp -80.45 -13.19 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.572 ' HA ' ' OD1' ' A' ' 98' ' ' ASN . 79.8 p -63.66 -35.08 79.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.022 0.439 . . . . 0.0 110.34 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.511 ' HB3' ' HZ2' ' A' ' 16' ' ' TRP . 85.9 mm-40 -62.98 -29.98 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.659 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -63.97 -42.86 97.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.282 0.563 . . . . 0.0 110.275 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.489 ' HD3' ' HA ' ' A' ' 97' ' ' GLN . 16.0 ttp180 -68.96 -45.68 70.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.587 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -73.3 -12.49 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.61 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.3 t -85.36 -34.4 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.74 25.73 6.74 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.751 -0.738 . . . . 0.0 113.195 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.659 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -106.19 -16.6 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.052 0.454 . . . . 0.0 110.17 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -118.53 132.69 56.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.562 176.595 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.41 -51.13 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.483 0.489 . . . . 0.0 110.68 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 11.4 pt20 -147.86 176.0 10.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.399 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.572 ' OD1' ' HA ' ' A' ' 87' ' ' SER . 3.6 m120 -102.0 110.87 63.4 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -63.07 -10.77 21.9 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.024 2.483 . . . . 0.0 112.595 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 p -66.83 -27.44 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.21 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 98' ' ' ASN . 2.4 mm-40 -75.74 -24.79 56.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.305 0.574 . . . . 0.0 110.312 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.46 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . . . -103.12 5.35 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.645 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.03 101.76 12.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.109 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -176.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.0 p . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.638 0.256 . . . . 0.0 111.652 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.886 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 57.2 t -51.76 -52.0 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.335 -173.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.11 -28.5 69.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.632 0.253 . . . . 0.0 111.316 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -75.39 -49.92 17.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.765 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 53.3 p-90 -73.29 -31.8 64.25 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -68.43 -34.94 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.136 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.11 -41.91 93.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.533 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.48 -36.93 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.944 179.137 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -78.11 -20.78 51.51 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 6.9 tp10 -60.78 -60.97 2.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.977 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -53.7 -62.1 1.87 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.102 -174.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.1 m -56.27 -43.38 76.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.593 ' O ' HG12 ' A' ' 41' ' ' VAL . 25.0 tp -64.42 -62.37 1.64 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.668 -175.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.596 ' HA ' HD13 ' A' ' 42' ' ' ILE . 12.9 ptm85 -64.82 -37.8 88.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.26 -37.87 81.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.626 0.25 . . . . 0.0 111.577 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -97.54 -55.46 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 37' ' ' LEU . 7.4 p -87.27 -27.66 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.3 mp -66.61 -47.43 56.79 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 74.3 Cg_endo -73.49 -15.67 24.67 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 121.534 1.489 . . . . 0.0 113.148 -177.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.802 HG23 ' HG ' ' A' ' 45' ' ' LEU . 14.7 t -107.42 -42.12 4.89 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' ' 44' ' ' THR . 85.1 mt -121.95 -9.68 8.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.402 -175.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.886 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -67.69 -13.87 64.18 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.522 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -98.41 5.78 47.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.82 0.343 . . . . 0.0 110.458 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -110.4 133.18 21.18 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.07 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.23 142.99 86.81 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.822 2.348 . . . . 0.0 112.653 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.34 -27.62 67.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.022 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -79.35 1.16 26.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.51 . . . . 0.0 110.636 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -118.73 7.83 11.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -81.5 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.722 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -112.74 149.62 41.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.649 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 13.4 Cg_endo -57.53 -34.76 98.55 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.893 2.395 . . . . 0.0 112.447 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.75 70.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.07 -38.51 61.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.846 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 53' ' ' LEU . 60.9 mt -66.19 -36.7 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.077 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.08 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.818 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 60' ' ' ARG . 12.6 ttp180 -62.88 -41.93 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.563 175.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -49.15 -60.93 2.37 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.61 0.569 . . . . 0.0 109.598 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.85 -50.38 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.222 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.77 77.52 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -64.5 -36.12 83.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.201 -174.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -86.92 -20.95 26.62 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.848 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.03 -27.44 68.11 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.149 176.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.06 -31.57 52.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.274 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -79.75 -21.65 44.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.07 56.43 0.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.581 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.1 mt -77.8 130.78 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.613 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 7.3 m -68.29 138.77 91.93 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 172.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.94 -27.87 75.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.774 2.316 . . . . 0.0 111.833 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 p -63.21 -41.76 99.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.982 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.613 ' HG3' ' HB2' ' A' ' 71' ' ' SER . 33.6 mtt180 -66.01 -49.61 67.16 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.49 -44.3 84.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.776 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 80' ' ' VAL . 21.4 ttt180 -61.09 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.682 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -64.0 -45.31 89.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.168 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 74' ' ' ARG . 63.1 mt -60.59 -39.33 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.309 0.576 . . . . 0.0 109.972 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -65.5 -37.5 86.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.934 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 76' ' ' ARG . 96.8 t -73.49 -49.7 34.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.353 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.92 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.7 0.286 . . . . 0.0 111.016 -176.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.421 HD23 HG23 ' A' ' 100' ' ' THR . 30.2 tp -68.12 -37.7 81.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -54.07 -48.68 70.38 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.17 -54.58 42.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.471 0.482 . . . . 0.0 110.926 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.21 99.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.48 -28.69 68.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.525 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -64.87 -36.81 85.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.593 0.235 . . . . 0.0 110.742 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.5 -36.02 78.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -69.11 -40.38 78.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.388 0.613 . . . . 0.0 110.066 173.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 13.1 ttt-85 -57.54 -48.65 78.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.832 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.87 -8.79 57.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.332 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -84.12 -9.87 58.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.23 7.36 83.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.882 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.7 pp -95.66 -13.48 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 15.7 tp -124.33 145.23 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.962 -177.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.36 -49.33 64.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.279 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.553 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 13.7 pt20 -152.76 -171.01 3.8 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.078 -174.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -100.32 98.84 8.43 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.987 0.422 . . . . 0.0 109.909 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 16.7 Cg_exo -67.93 -15.9 44.46 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.975 2.45 . . . . 0.0 111.842 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.421 HG23 HD23 ' A' ' 82' ' ' LEU . 6.4 m -61.92 -47.22 85.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.107 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.36 -20.2 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.83 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.06 -24.36 60.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.388 0.613 . . . . 0.0 109.481 173.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.56 104.41 16.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.006 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm . . . . . 0 C--N 1.32 -0.71 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.353 -178.624 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.235 0.325 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.82 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 94.6 t -68.04 -45.58 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.061 0.458 . . . . 0.0 110.133 175.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HB3' HG23 ' A' ' 42' ' ' ILE . 6.5 pt-20 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.008 -174.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -72.56 -41.64 65.53 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.244 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.727 ' HE3' HD22 ' A' ' 13' ' ' LEU . 66.7 t90 -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.028 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.727 HD22 ' HE3' ' A' ' 12' ' ' TRP . 4.2 mm? -62.35 -30.64 71.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.912 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -61.82 -53.06 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.295 0.569 . . . . 0.0 110.396 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.17 -29.42 66.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.711 ' HE1' ' HG2' ' A' ' 88' ' ' GLN . 87.0 t90 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.364 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.813 0.339 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -61.44 -41.32 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.097 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.6 mt-10 -62.54 -53.65 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.6 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m -54.8 -61.94 1.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.101 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -60.1 -40.55 83.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.3 tp -68.45 -61.27 1.91 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.671 ' HB2' HD12 ' A' ' 42' ' ' ILE . 5.1 ptp180 -61.86 -36.93 82.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.744 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.07 -44.2 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.682 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -91.51 -43.25 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.7 p -98.55 -27.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -169.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 38' ' ' ARG . 13.4 mt -65.87 -48.93 60.96 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.697 -0.627 . . . . 0.0 112.624 -175.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.8 Cg_endo -71.93 -14.71 29.49 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.585 1.523 . . . . 0.0 112.807 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.6 p -97.74 -64.57 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 111.562 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -115.29 -2.51 12.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.0 -175.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.82 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.44 -20.1 76.7 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.557 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -79.39 -7.42 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.285 0.564 . . . . 0.0 110.727 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.0 mt -98.7 133.04 22.84 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.621 ' HG2' ' CB ' ' A' ' 52' ' ' LYS . 10.2 Cg_endo -54.34 144.66 59.84 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.65 2.234 . . . . 0.0 112.114 174.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 9' ' ' VAL . 84.7 mt -56.31 -40.54 74.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.576 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -71.94 -21.46 61.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 111.091 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.621 ' CB ' ' HG2' ' A' ' 49' ' ' PRO . 85.6 tttt -90.71 -17.36 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.239 -178.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.93 128.63 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.432 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 10.3 mt-30 -110.46 149.13 39.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.897 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.83 -23.99 78.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.591 2.194 . . . . 0.0 111.683 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.42 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.566 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 5.3 m-20 -70.64 -38.65 73.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.053 178.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.535 HD12 ' HB2' ' A' ' 99' ' ' PRO . 58.0 mt -67.02 -39.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.326 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -51.12 69.72 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 173.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -54.65 -47.39 73.58 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.822 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 2.5 tm? -58.02 -40.54 81.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.35 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.675 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 16.0 m-30 -65.02 -46.83 79.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.771 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.08 96.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.168 0.509 . . . . 0.0 110.753 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.44 67.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.615 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.675 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 52.1 mtmt -75.99 -45.24 35.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 175.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.97 -33.71 76.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.912 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.87 -32.25 70.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.077 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.4 t -79.57 -14.03 59.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.583 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.49 31.12 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 65' ' ' LYS . 21.4 mt -83.63 134.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.72 0.295 . . . . 0.0 110.755 177.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 15.8 m -62.42 135.89 95.56 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.664 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 51.3 Cg_exo -54.07 -30.79 61.61 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.168 2.579 . . . . 0.0 112.888 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -61.9 -50.2 73.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 0.0 111.106 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -69.64 -28.42 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.427 HG13 ' HE3' ' A' ' 65' ' ' LYS . 87.4 t -60.7 -38.79 79.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.296 174.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 25.2 mtt180 -71.49 -33.23 69.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.22 -47.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.074 0.464 . . . . 0.0 110.203 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.509 ' HA ' HG12 ' A' ' 81' ' ' VAL . 75.4 mt -61.62 -29.25 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.819 176.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 76' ' ' ARG . 10.7 t-80 -64.95 -52.04 58.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.761 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.24 -36.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.8 p -65.45 -38.13 81.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.523 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -70.95 -41.16 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -58.21 -46.76 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.325 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.9 -18.05 51.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.511 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.94 -33.26 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.202 0.525 . . . . 0.0 110.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mtp -84.44 -6.39 59.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.585 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 73.7 m -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.711 ' HG2' ' HE1' ' A' ' 16' ' ' TRP . 26.0 mp0 -62.82 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.621 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -64.05 -36.16 83.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -71.31 -45.32 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.305 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 87' ' ' SER . 66.5 mm-40 -59.88 -40.04 87.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -68.97 -18.49 64.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 23.52 65.26 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.734 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.621 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -95.11 -7.46 39.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.138 0.494 . . . . 0.0 110.434 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' HG ' ' H ' ' A' ' 96' ' ' LEU . 15.2 tp -113.28 -131.87 0.32 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.2 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.518 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 63.5 tp -164.06 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.278 0.561 . . . . 0.0 110.391 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -134.5 -172.29 2.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.896 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.543 ' OD1' ' HG2' ' A' ' 101' ' ' GLU . 19.2 t-20 -112.89 98.15 44.24 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.535 ' HB2' HD12 ' A' ' 58' ' ' ILE . 6.5 Cg_exo -72.25 -13.67 28.3 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.892 -169.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 p -74.99 -32.75 61.75 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.364 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG2' ' OD1' ' A' ' 98' ' ' ASN . 5.7 mm-40 -85.51 -18.49 33.34 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.911 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.0 -12.85 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.49 152.8 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.657 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.636 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.256 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.65 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 4.3 m . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.683 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.9 t -56.36 -53.91 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.652 0.263 . . . . 0.0 111.461 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.65 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -67.19 -23.12 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.541 -177.216 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -53.59 49.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -71.5 -36.92 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 109.982 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.5 -45.35 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.924 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.1 t90 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.186 176.0 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.55 ' O ' HG22 ' A' ' 36' ' ' VAL . 43.3 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.623 0.249 . . . . 0.0 110.765 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CD2' HG23 ' A' ' 81' ' ' VAL . 33.3 m-85 -52.4 -38.63 59.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.7 -50.85 55.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.454 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 m -68.26 -52.01 38.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.408 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 32' ' ' SER . 34.7 m -67.0 -33.56 64.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' VAL . 21.0 tp -65.14 -62.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -178.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.582 ' HG3' ' N ' ' A' ' 39' ' ' LEU . 8.4 ptp180 -53.86 -45.95 71.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.115 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.582 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 31.7 tp -64.89 -39.3 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.98 -171.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -100.59 -40.77 7.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -171.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 37' ' ' LEU . 2.8 m -90.83 -32.61 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -169.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.57 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 42.0 mt -67.25 -47.99 48.53 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -173.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 14.7 Cg_endo -57.07 -42.37 64.62 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.22 1.946 . . . . 0.0 113.931 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 t -105.38 -46.41 4.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' HG ' HD12 ' A' ' 61' ' ' LEU . 1.2 tm? -84.61 -31.27 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.204 0.526 . . . . 0.0 109.905 -174.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.683 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -74.62 14.59 4.24 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.077 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.1 m -108.32 -0.81 20.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.459 . . . . 0.0 110.228 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 69.6 mt -113.15 125.38 29.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.211 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 52.4 Cg_exo -55.78 145.3 72.77 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.005 2.47 . . . . 0.0 112.562 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.14 -29.68 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -85.43 5.78 29.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -131.48 8.91 4.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.463 0.649 . . . . 0.0 109.971 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -82.2 122.44 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.582 -175.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -124.95 161.74 47.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.724 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.42 -29.39 58.65 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.94 2.427 . . . . 0.0 113.002 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.71 80.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 60' ' ' ARG . 21.3 m-20 -69.64 -36.48 76.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.46 -34.69 63.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.3 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -60.39 -41.32 93.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 18.7 ttt85 -59.93 -39.79 86.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.79 177.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD11 HG12 ' A' ' 41' ' ' VAL . 3.2 tt -53.93 -60.53 3.21 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.486 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 23.5 m-85 -61.9 -44.44 96.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.333 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 t -63.67 -39.69 94.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 57.4 mmtt -88.7 -25.43 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.05 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.03 -18.23 63.11 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -7.05 55.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.171 0.51 . . . . 0.0 110.461 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.18 62.67 0.7 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.774 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 65' ' ' LYS . 57.6 mt -99.35 139.33 35.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.02 0.438 . . . . 0.0 111.369 176.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.4 m -74.51 156.97 86.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.923 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.04 -46.01 36.48 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.598 2.199 . . . . 0.0 112.033 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.436 ' HA ' ' HB3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -68.36 -28.82 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.463 179.345 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.574 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.4 mmt85 -65.29 -50.9 63.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.49 -40.85 85.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 109.952 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HB3' ' HA ' ' A' ' 73' ' ' THR . 44.0 ttt180 -56.19 -48.49 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.217 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.58 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 74' ' ' ARG . 61.7 mt -63.8 -35.43 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.029 176.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.486 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.2 t-80 -64.2 -38.33 90.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.093 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 76' ' ' ARG . 93.6 t -71.96 -50.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.385 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.0 p -62.73 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.184 -177.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.4 tp -68.51 -42.19 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.371 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -59.93 -38.01 81.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.542 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -70.1 -55.98 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.547 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.32 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.936 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.0 ttm -68.74 -27.97 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.352 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.3 p -69.32 -27.25 65.21 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.786 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.29 -30.98 72.01 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.87 0.367 . . . . 0.0 110.202 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -67.38 -37.99 84.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 110.033 176.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 69.9 ttt180 -66.85 -45.64 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.14 -29.36 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.784 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -68.59 -25.7 65.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.93 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.62 -0.65 55.49 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.909 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.707 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.1 pp -87.77 -11.66 47.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.365 0.602 . . . . 0.0 109.789 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 39.4 tp -136.53 132.78 35.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.81 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.4 pt? -99.46 -18.35 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.904 0.383 . . . . 0.0 111.477 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -116.79 160.44 20.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -120.35 94.84 48.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.95 -9.82 11.76 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.531 2.154 . . . . 0.0 112.635 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 m -70.64 -27.75 64.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.692 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.57 -26.84 60.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.72 2.93 43.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.792 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.48 107.65 18.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.655 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.0 pttt . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.159 -175.756 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.48 122.47 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -67.85 116.52 39.09 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.23 143.84 60.39 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.341 2.694 . . . . 0.0 112.719 -176.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p 50.89 91.35 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.089 0.868 . . . . 0.0 112.139 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -99.68 -39.03 8.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.821 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 tt -113.1 106.24 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.668 0.747 . . . . 0.0 110.786 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 45.7 p -123.58 177.0 5.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.282 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.823 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 86.1 t -59.21 -47.12 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.245 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -26.39 65.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.628 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.57 -42.18 95.8 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 121.074 0.464 . . . . 0.0 109.914 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.473 ' HH2' ' HB2' ' A' ' 88' ' ' GLN . 63.3 t90 -72.76 -42.81 63.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.059 177.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 9' ' ' VAL . 79.0 mt -56.77 -52.82 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -63.88 -33.37 75.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.747 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.34 -41.78 47.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.973 0.416 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -60.83 -42.64 98.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.127 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.06 -45.86 93.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.851 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.0 m -56.58 -32.79 65.56 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.05 0.452 . . . . 0.0 111.353 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.24 -55.75 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.956 0.408 . . . . 0.0 111.668 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -87.95 5.57 40.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -168.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.07 -1.97 53.58 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.469 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -68.3 145.24 97.31 Favored Pre-proline 0 C--O 1.236 0.345 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.512 ' HA ' ' O ' ' A' ' 117' ' ' HIS . 6.5 Cg_endo -48.32 119.75 4.37 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.892 3.061 . . . . 0.0 113.684 -174.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -132.99 160.05 38.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.719 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HA ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -107.65 92.93 4.28 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.947 0.403 . . . . 0.0 111.456 -173.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.1 ttm-85 -172.09 100.17 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.434 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 65.71 112.06 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 124.219 0.95 . . . . 0.0 112.902 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -76.09 85.08 2.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.269 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.663 ' HB ' ' O ' ' A' ' 115' ' ' HIS . 7.0 m -98.3 161.69 13.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.702 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -77.36 -177.72 4.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.258 0.551 . . . . 0.0 111.169 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.67 6.67 44.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.608 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m -56.75 -37.85 71.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.928 -173.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.89 -32.16 73.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.886 0.374 . . . . 0.0 110.479 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 18.5 tt0 -77.07 -50.86 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.185 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.2 m -53.98 -55.88 23.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.136 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.28 -37.36 77.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.907 0.384 . . . . 0.0 111.021 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' VAL . 28.4 tp -65.2 -65.35 0.68 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.436 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 46.5 ptt85 -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.419 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.96 -37.59 82.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.321 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -97.13 -49.05 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' LEU . 7.8 p -86.56 -28.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -169.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.537 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 26.2 mt -64.77 -53.07 46.31 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.954 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 10.9 Cg_exo -71.58 -3.9 13.97 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.916 1.744 . . . . 0.0 112.93 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.1 p -108.07 -67.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.989 0.423 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.464 HD13 HD21 ' A' ' 53' ' ' LEU . 60.8 mt -110.6 -7.79 14.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -174.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.823 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.06 -29.57 74.79 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 113.177 -175.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -86.24 15.68 5.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.186 0.517 . . . . 0.0 111.239 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 9' ' ' VAL . 66.5 mt -115.89 139.1 24.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.607 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 25.3 Cg_endo -64.35 144.2 85.15 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.007 1.805 . . . . 0.0 111.971 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 95' ' ' LEU . 52.1 mt -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.1 -4.25 49.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.788 0.328 . . . . 0.0 111.782 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.607 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 61.3 tttp -116.42 -12.57 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.455 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.493 HD11 HG13 ' A' ' 58' ' ' ILE . 3.2 tm? -68.12 119.12 12.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.98 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.62 146.9 38.26 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.931 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.43 -26.95 80.06 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.703 2.269 . . . . 0.0 111.67 174.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.28 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.734 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.38 -39.29 85.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.493 HG13 HD11 ' A' ' 53' ' ' LEU . 69.4 mt -65.46 -43.27 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -62.23 -44.54 96.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -61.7 -36.77 81.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.998 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.38 -48.35 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 79' ' ' HIS . 23.4 m-85 -61.41 -44.91 96.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.227 0.537 . . . . 0.0 110.949 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 67' ' ' GLU . . . -71.28 -49.68 40.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.017 -175.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -67.32 -34.82 78.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.416 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.906 ' HB3' HD12 ' A' ' 70' ' ' LEU . 29.9 mmtm -77.65 -23.1 49.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.281 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.78 -42.99 90.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 63' ' ' ALA . 7.0 mm-40 -63.96 -25.46 68.15 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.489 175.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -78.71 -8.27 58.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.423 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.06 22.83 7.69 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.63 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.906 HD12 ' HB3' ' A' ' 65' ' ' LYS . 42.2 mt -85.85 142.6 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.032 0.416 . . . . 0.0 110.182 175.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.4 m -71.99 138.4 82.21 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.112 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -37.95 82.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.253 2.635 . . . . 0.0 112.841 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 8.1 m -69.21 -37.85 78.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.208 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 78' ' ' ILE . 12.0 ttp85 -76.81 -33.61 57.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.45 -37.04 78.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.502 0.668 . . . . 0.0 109.241 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 73' ' ' THR . 44.5 ttm180 -61.45 -37.75 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.497 177.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -67.62 -44.57 77.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.646 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 74' ' ' ARG . 80.4 mt -57.81 -36.86 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 110.379 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.437 ' HA ' ' CE1' ' A' ' 62' ' ' TYR . 2.5 t60 -54.04 -51.45 63.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.868 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.624 HG11 ' HD2' ' A' ' 108' ' ' HIS . 30.0 m -79.63 -36.66 17.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.18 -37.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.191 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.16 -42.05 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.959 0.409 . . . . 0.0 109.928 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.457 ' HD2' ' OG1' ' A' ' 100' ' ' THR . 37.7 t-80 -57.71 -59.66 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.313 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.43 -18.12 58.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -171.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.82 56.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.63 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 49.4 ttm -69.06 -28.57 66.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.704 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 49.3 m -63.29 -22.36 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.127 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB2' ' HH2' ' A' ' 12' ' ' TRP . 14.8 mm100 -70.57 -28.48 64.92 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.728 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -75.84 -34.23 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.507 0.67 . . . . 0.0 109.736 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.191 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.55 -3.82 45.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.146 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -91.5 -7.29 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.053 0.454 . . . . 0.0 109.828 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.79 7.88 88.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.104 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.728 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.5 pp -100.22 -10.68 21.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 110.242 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 50' ' ' LEU . 47.6 tp -123.48 129.15 50.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.193 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.804 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.2 pt? -79.23 -36.58 39.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -150.46 147.62 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -78.85 114.35 43.22 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.63 ' HD2' ' SD ' ' A' ' 86' ' ' MET . 24.3 Cg_exo -63.94 -16.52 55.34 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.796 2.33 . . . . 0.0 111.847 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.457 ' OG1' ' HD2' ' A' ' 83' ' ' HIS . 34.4 p -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.5 -19.32 49.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.894 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.2 -0.13 30.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.723 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.583 ' O ' ' HD3' ' A' ' 105' ' ' PRO . . . -88.5 174.58 8.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.55 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.432 ' NZ ' ' HB3' ' A' ' 104' ' ' LYS . 8.1 mtpm? -112.36 81.79 4.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.888 0.375 . . . . 0.0 110.221 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 103' ' ' ALA . 84.7 Cg_endo -100.86 163.78 0.4 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.53 2.82 . . . . 0.0 113.15 -176.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.21 141.82 96.87 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.514 2.142 . . . . 0.0 111.528 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 107' ' ' ARG . 16.7 ttp180 -78.71 116.79 19.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -175.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.624 ' HD2' HG11 ' A' ' 80' ' ' VAL . 81.9 t60 -166.69 123.93 0.99 Allowed Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.709 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.43 165.68 26.24 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.675 2.25 . . . . 0.0 111.835 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.49 ' H ' HD22 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -87.03 130.66 34.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.668 -175.477 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -78.49 -10.37 59.69 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.238 0.542 . . . . 0.0 109.771 169.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 51.6 m80 74.71 174.78 0.25 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.232 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -68.77 95.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.826 -167.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.412 ' HB3' HG21 ' A' ' 29' ' ' THR . 91.4 m-70 -90.35 102.85 15.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 166.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.663 ' O ' ' HB ' ' A' ' 29' ' ' THR . 11.5 t-160 -87.59 -106.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -166.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 115' ' ' HIS . 76.8 t60 164.64 163.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -164.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' A' ' 23' ' ' PRO . 7.2 m-70 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.735 171.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 121.029 0.442 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.6 mt -108.21 107.58 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 121.962 -0.462 . . . . 0.0 111.253 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 18.7 tp10 -91.39 113.8 59.65 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 7.5 Cg_exo -72.48 66.13 3.7 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.27 2.646 . . . . 0.0 113.167 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -171.4 142.05 1.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -104.43 -4.03 23.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.192 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 7' ' ' ILE . 38.6 pt 43.57 102.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.919 1.288 . . . . 0.0 114.317 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 p -78.29 -176.36 4.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.402 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 48' ' ' ILE . 59.8 t -50.01 -48.87 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.876 0.369 . . . . 0.0 111.602 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -59.0 -42.9 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.477 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -77.05 -36.45 55.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -63.71 -51.16 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' O ' HD13 ' A' ' 17' ' ' LEU . 96.0 mt -55.01 -49.89 70.4 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.932 0.396 . . . . 0.0 110.497 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -56.59 -49.04 76.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.603 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -70.16 -49.79 46.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.772 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -58.46 -47.17 84.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.11 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 13' ' ' LEU . 6.8 mp -57.59 -47.32 82.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.958 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 m -74.84 -28.56 60.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.365 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -81.47 -44.26 17.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -89.89 -2.49 58.2 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.01 -73.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.908 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 66.3 mttp 59.86 92.66 0.06 OUTLIER Pre-proline 0 C--O 1.233 0.222 0 O-C-N 123.774 0.672 . . . . 0.0 111.283 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 15.9 Cg_endo -57.12 122.47 11.88 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 123.397 2.731 . . . . 0.0 112.472 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -146.47 -60.64 0.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.308 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.71 164.6 18.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.117 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 26' ' ' ARG . 49.0 mtm180 -74.79 171.53 13.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.932 0.396 . . . . 0.0 111.367 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -52.48 126.76 20.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -171.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -148.02 36.82 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.769 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -96.71 145.43 25.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.399 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.448 ' HB3' ' HE1' ' A' ' 33' ' ' TYR . 7.0 t90 -103.68 -35.72 8.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 174.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 70.71 -10.02 0.76 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.725 169.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 36' ' ' VAL . 37.1 p -64.76 -40.48 95.36 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 122.337 -0.227 . . . . 0.0 110.784 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HA ' HG21 ' A' ' 81' ' ' VAL . 21.5 m-85 -48.33 -53.38 17.63 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 124.05 0.844 . . . . 0.0 110.393 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 24.7 tt0 -67.31 -49.62 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.958 -176.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.1 m -52.46 -55.39 22.23 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.041 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 32' ' ' SER . 26.9 m -64.73 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.606 ' O ' HG12 ' A' ' 41' ' ' VAL . 76.8 mt -69.33 -64.27 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.546 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 45.6 ptt85 -56.98 -40.79 77.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.8 -175.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.75 -50.11 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.932 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -101.37 -39.81 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -171.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 37' ' ' LEU . 4.0 p -93.68 -22.32 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.056 -171.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.632 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -71.67 -44.46 12.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 52.2 Cg_exo -55.88 -34.08 90.55 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.884 1.723 . . . . 0.0 113.658 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.419 HG23 HD13 ' A' ' 45' ' ' LEU . 5.2 t -108.05 -43.23 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.658 ' HG ' HD12 ' A' ' 48' ' ' ILE . 10.6 mp -106.17 -6.24 18.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.481 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.5 -21.54 77.61 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.113 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 p -88.79 5.7 42.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.658 HD12 ' HG ' ' A' ' 45' ' ' LEU . 64.1 mt -96.28 131.62 28.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.405 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 52' ' ' LYS . 30.9 Cg_endo -66.18 139.58 55.93 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.456 2.104 . . . . 0.0 111.294 174.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 9' ' ' VAL . 96.0 mt -54.2 -33.25 57.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -176.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.01 2.61 45.69 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 4.0 ttpt -107.93 -17.77 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.741 HD11 HD11 ' A' ' 58' ' ' ILE . 3.0 tm? -51.5 111.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.319 -172.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 97.3 mt-30 -107.62 153.93 41.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.266 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.18 -27.89 85.81 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.476 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.6 93.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.388 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -63.09 -41.52 99.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.841 0.353 . . . . 0.0 110.246 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.741 HD11 HD11 ' A' ' 53' ' ' LEU . 19.3 mt -65.29 -48.26 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.82 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.38 -44.4 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.802 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -63.57 -37.26 86.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.03 -51.03 67.57 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.522 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 58' ' ' ILE . 25.1 m-85 -62.78 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.339 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -56.26 23.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.66 0.6 . . . . 0.0 111.451 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m -69.98 -26.25 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.078 0.466 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.612 ' HG2' HD12 ' A' ' 70' ' ' LEU . 23.2 ttpp -74.81 -24.13 58.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.183 0.516 . . . . 0.0 110.168 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.54 -39.46 64.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.27 -15.23 63.04 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.969 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.8 t -74.1 -17.64 60.92 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.21 35.81 3.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.838 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD12 ' HG2' ' A' ' 65' ' ' LYS . 14.0 mt -99.87 138.0 37.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.743 0.271 . . . . 0.0 111.04 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 75' ' ' VAL . 46.9 t -63.79 136.92 96.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.2 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.03 -25.47 44.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.408 2.739 . . . . 0.0 112.626 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -62.58 -48.45 79.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -74.74 -27.35 60.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.852 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 71' ' ' SER . 97.1 t -63.46 -41.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.978 175.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -67.11 -38.26 85.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.362 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.89 -47.47 80.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.836 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.59 ' HA ' HG12 ' A' ' 81' ' ' VAL . 80.7 mt -59.7 -34.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.552 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 27.5 t-80 -65.07 -40.33 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.065 0.46 . . . . 0.0 110.363 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.95 -46.61 51.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.6 p -66.65 -39.95 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.097 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.37 -40.58 97.63 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 87' ' ' SER . 33.6 t60 -55.95 -52.07 65.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.584 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.45 -46.47 82.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.31 81.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.409 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.8 ttm -71.42 -26.7 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 83' ' ' HIS . 23.0 t -57.84 -30.62 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 177.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -64.2 -39.7 94.54 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.5 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 25.8 ttp-105 -65.5 -49.38 69.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.054 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -79.22 7.98 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.437 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -111.68 2.82 17.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.44 174.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.13 13.33 82.16 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.288 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.21 -27.96 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 34.0 tp -131.73 122.13 25.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.054 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.798 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.4 pt? -80.41 -10.69 59.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.976 -174.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -132.47 170.74 14.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -173.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -120.22 95.21 49.05 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.529 ' HG2' HD12 ' A' ' 53' ' ' LEU . 2.0 Cg_endo -83.74 -12.25 8.75 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.248 2.632 . . . . 0.0 112.975 -174.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -37.76 88.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.331 -176.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -33.13 61.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.92 -23.62 64.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.212 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.41 93.65 9.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.842 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -71.89 125.22 91.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.844 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.11 174.22 12.79 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 123.07 2.513 . . . . 0.0 112.347 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.417 ' HG2' HG11 ' A' ' 75' ' ' VAL . 74.7 Cg_exo -51.66 162.03 1.81 Allowed 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.958 2.439 . . . . 0.0 113.317 177.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -67.19 150.85 48.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.284 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -97.86 105.07 24.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.894 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.438 ' HB2' HD22 ' A' ' 110' ' ' LEU . 9.0 Cg_exo -71.32 -80.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.13 2.553 . . . . 0.0 113.326 -174.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 109' ' ' PRO . 3.4 mm? -78.46 148.93 33.34 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.686 ' HG2' ' H ' ' A' ' 112' ' ' HIS . 24.4 tt0 -143.51 174.84 10.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.668 -175.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.686 ' H ' ' HG2' ' A' ' 111' ' ' GLU . 3.2 t-160 75.98 -58.28 0.54 Allowed 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.149 0.979 . . . . 0.0 111.347 174.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -91.09 111.84 23.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 109.924 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -73.04 156.79 38.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.3 95.16 5.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -76.11 -19.94 58.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 . . . . . 0 C--O 1.246 0.907 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.103 176.77 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.707 0.289 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.4 mt -112.02 -60.47 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -115.82 101.2 54.09 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.452 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.48 ' HG3' ' HB2' ' A' ' 52' ' ' LYS . 22.1 Cg_endo -61.93 -34.64 80.92 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.835 2.357 . . . . 0.0 112.792 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -159.34 171.46 19.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.232 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 39.5 mtpt -99.08 -13.69 19.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.983 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 pt -67.96 86.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.365 0.603 . . . . 0.0 110.813 176.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 31.2 p -84.01 164.56 19.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.043 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.581 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 98.0 t -61.52 -48.03 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.451 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.3 -36.04 76.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -67.6 -45.37 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.594 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -71.36 -47.08 58.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.96 -52.18 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.15 -43.57 98.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.898 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.1 ttm-85 -64.51 -43.39 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.613 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -58.52 -49.36 77.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.013 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 8.0 mp -62.27 -31.52 72.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.248 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.4 m -66.47 -48.83 68.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.82 -46.14 22.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 111.104 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -82.61 6.37 17.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.76 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -53.17 -56.04 19.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 123.223 0.327 . . . . 0.0 110.738 174.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tptt 55.82 92.88 0.06 OUTLIER Pre-proline 0 C--O 1.226 -0.18 0 O-C-N 124.223 0.952 . . . . 0.0 110.389 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -34.26 -66.04 0.11 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.728 2.952 . . . . 0.0 112.866 -176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 66.46 143.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.923 0.868 . . . . 0.0 112.775 168.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mp -97.76 133.89 41.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.07 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 76.41 175.28 0.21 Allowed 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.052 0.845 . . . . 0.0 111.804 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 70.6 93.74 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.642 173.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -95.63 -10.06 30.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.113 174.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 m -58.89 -33.68 70.8 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.603 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -68.18 -27.25 66.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.46 -12.91 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.071 0.462 . . . . 0.0 111.092 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.8 m -66.53 -36.17 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.935 175.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.04 -47.51 79.92 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.14 -42.63 81.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.3 m -72.24 -47.41 50.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.388 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.95 -39.63 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.269 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 41' ' ' VAL . 93.4 mt -60.55 -54.75 41.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -47.9 -55.29 10.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.136 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 tp -61.54 -36.22 79.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.384 -170.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.664 ' HD2' HD11 ' A' ' 61' ' ' LEU . 10.9 p-80 -98.3 -40.43 8.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -169.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.0 p -102.4 -30.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.97 -55.49 40.68 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.988 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.71 -11.14 29.14 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.888 1.726 . . . . 0.0 113.093 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -101.69 -66.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 111.764 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -112.23 4.91 18.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -171.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.581 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -61.91 -37.45 94.38 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.142 -176.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -79.77 -0.41 34.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.176 0.512 . . . . 0.0 110.648 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 9' ' ' VAL . 50.8 mt -92.61 134.67 27.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.694 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.687 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.8 Cg_exo -63.3 143.75 89.87 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.711 2.274 . . . . 0.0 112.095 176.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.22 -28.12 62.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.892 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 32.8 mmtp -76.47 -16.75 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HB2' ' HG3' ' A' ' 4' ' ' PRO . 7.0 tmtm? -103.97 -3.93 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.556 . . . . 0.0 110.145 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -74.23 102.1 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.656 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -101.67 161.08 24.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.471 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.678 ' HG3' ' HA ' ' A' ' 99' ' ' PRO . 32.7 Cg_exo -60.89 -30.01 89.21 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.411 2.074 . . . . 0.0 111.376 173.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.41 87.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.15 -40.43 90.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 110.107 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.634 HD11 HD11 ' A' ' 53' ' ' LEU . 62.1 mt -66.59 -42.68 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.916 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.15 -37.84 88.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.975 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 60' ' ' ARG . 32.0 ttt180 -63.44 -42.13 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.272 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.664 HD11 ' HD2' ' A' ' 40' ' ' HIS . 5.6 tt -48.05 -59.31 3.47 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.881 0.738 . . . . 0.0 109.904 176.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 15.2 m-85 -57.72 -54.43 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.44 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.471 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.2 m -65.45 -49.86 67.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.567 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HG2' ' HG ' ' A' ' 70' ' ' LEU . 77.6 tttt -79.06 -22.76 44.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.035 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 52.5 tp -59.22 -45.66 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.94 -23.57 67.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.164 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.7 t -76.61 -47.61 21.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.981 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.46 53.98 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.267 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.765 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 36.4 mt -99.02 133.51 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.595 -0.356 . . . . 0.0 110.338 174.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 m -68.05 143.33 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.01 -35.67 72.78 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.713 2.275 . . . . 0.0 112.256 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.4 p -66.69 -41.72 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.984 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -63.41 -37.73 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.652 HG21 HD13 ' A' ' 66' ' ' LEU . 59.3 t -59.7 -41.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 123.369 0.418 . . . . 0.0 110.275 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -72.94 -38.3 66.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HA ' HG12 ' A' ' 80' ' ' VAL . 41.6 t80 -64.91 -50.76 65.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.3 mt -57.93 -34.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.622 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.491 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 36.2 t-80 -70.01 -49.07 55.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.267 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 77' ' ' TYR . 11.3 p -69.86 -37.61 73.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.387 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.05 -33.59 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.303 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.4 tp -72.21 -39.23 68.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -64.4 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.69 -50.85 9.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.028 0.442 . . . . 0.0 111.004 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.64 15.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -171.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.6 tpt -75.5 -29.3 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.596 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -67.79 -17.1 64.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 110.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.82 -20.91 64.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.58 75.68 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 90' ' ' ARG . 25.1 ttt180 -66.91 -43.86 82.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.895 175.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.35 -18.22 60.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -73.76 -12.12 60.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.575 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.11 -5.28 57.65 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.655 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.428 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 3.6 mm? -75.76 -48.3 22.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.21 149.49 35.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.637 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.1 pt? -100.94 -30.52 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.572 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 77.8 mt-30 -103.01 167.9 9.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.321 . . . . 0.0 110.938 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -115.57 94.72 41.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.907 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.678 ' HA ' ' HG3' ' A' ' 55' ' ' PRO . 7.1 Cg_exo -74.31 -22.71 16.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.913 2.409 . . . . 0.0 112.572 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.9 p -69.85 -35.18 74.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.276 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.53 -35.44 60.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.27 8.26 31.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.884 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.54 90.41 8.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 109.468 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -133.82 136.42 26.51 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.332 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 34.6 Cg_endo -67.05 110.71 2.03 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.268 1.979 . . . . 0.0 111.582 174.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 4.4 Cg_exo -78.44 -38.8 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.884 2.389 . . . . 0.0 113.12 -174.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 48.86 67.96 0.78 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.688 0.618 . . . . 0.0 110.642 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -138.88 139.76 24.86 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.261 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -57.54 -32.82 95.33 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.142 2.561 . . . . 0.0 111.667 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 mt -81.79 105.21 12.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.924 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -86.43 83.06 7.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.534 -175.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.0 m80 67.27 171.7 0.26 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.209 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -126.7 96.27 4.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.883 0.373 . . . . 0.0 110.217 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -75.8 129.95 37.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.684 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -84.08 177.41 8.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.93 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -60.96 -65.68 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.952 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 52.2 t60 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.709 179.608 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.833 0.349 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -104.36 -27.63 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.313 0.578 . . . . 0.0 109.445 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -83.46 124.21 75.9 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.417 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.24 94.13 0.24 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.639 2.226 . . . . 0.0 112.121 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -69.73 102.32 1.88 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.77 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -87.45 98.77 11.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.651 0.739 . . . . 0.0 109.33 173.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.465 HG21 ' HB3' ' A' ' 12' ' ' TRP . 47.2 mm -95.28 107.89 20.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.744 -173.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.579 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 32.8 p -77.33 167.93 20.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.169 176.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.776 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 48.8 t -56.31 -45.74 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.179 0.299 . . . . 0.0 111.405 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HB3' HG13 ' A' ' 42' ' ' ILE . 13.5 pt-20 -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -65.81 -52.24 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.446 -174.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.619 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 69.0 p-90 -77.37 -35.43 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.059 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.05 -39.2 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.471 0.177 . . . . 0.0 111.413 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -59.07 -46.74 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 0.0 110.481 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -80.87 -28.07 36.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.532 ' HZ2' ' HG2' ' A' ' 88' ' ' GLN . 89.6 t90 -57.69 -53.56 56.83 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.528 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.4 pp -64.93 -26.9 68.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.67 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.6 m -64.8 -37.61 88.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.018 0.437 . . . . 0.0 110.628 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -96.78 -50.75 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -96.47 6.22 49.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -166.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -55.42 -42.02 73.59 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 67.7 159.68 0.14 Allowed Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 123.543 0.527 . . . . 0.0 110.997 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.0 89.18 1.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.09 1.86 . . . . 0.0 111.339 172.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -80.3 144.85 32.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.285 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.73 HD23 ' H ' ' A' ' 25' ' ' LEU . 1.8 pt? -104.95 175.36 5.52 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 68.67 164.49 0.24 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.485 0.49 . . . . 0.0 110.126 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 112' ' ' HIS . 13.5 pt20 -164.56 160.49 20.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -171.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.648 ' O ' ' HB ' ' A' ' 29' ' ' THR . 10.6 p -102.16 -79.26 0.52 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 160.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.648 ' HB ' ' O ' ' A' ' 28' ' ' SER . 5.9 t 164.33 -32.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 124.101 0.876 . . . . 0.0 110.27 167.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -82.88 156.32 23.63 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.908 0.385 . . . . 0.0 111.408 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 mp0 -91.27 81.53 5.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.7 m -93.05 -46.32 7.51 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.415 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -44.28 -60.86 1.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.335 1.022 . . . . 0.0 113.115 -169.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -72.26 -37.36 69.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.606 0.241 . . . . 0.0 111.553 -173.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 m -66.6 -47.39 72.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.712 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 32' ' ' SER . 27.0 m -65.7 -39.71 85.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.44 -56.34 10.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.2 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.535 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 20.7 tpt180 -47.5 -65.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.131 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.7 tp -52.93 -42.85 65.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.915 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -99.58 -56.33 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 20.9 m -96.37 -14.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -168.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.3 mp -68.83 -48.07 30.71 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 118.624 0.647 . . . . 0.0 112.301 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 8.1 Cg_exo -73.41 -9.59 23.14 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.861 1.707 . . . . 0.0 112.54 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 41' ' ' VAL . 10.9 p -107.35 -67.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.845 0.355 . . . . 0.0 111.735 -177.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -97.62 -29.24 13.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.776 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -66.69 -21.27 70.89 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.797 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -84.46 -3.89 58.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.056 0.455 . . . . 0.0 110.465 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -103.95 133.44 20.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.107 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.82 145.45 96.48 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.321 2.014 . . . . 0.0 111.509 173.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.515 HD22 HD21 ' A' ' 95' ' ' LEU . 94.6 mt -64.45 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.518 . . . . 0.0 111.338 -175.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -75.39 -1.57 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.276 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -124.36 -14.69 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -64.38 122.6 17.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -106.2 154.55 39.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' ILE . 33.6 Cg_endo -65.44 -27.8 54.46 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.389 2.059 . . . . 0.0 111.222 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.98 99.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.77 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.336 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 53' ' ' LEU . 79.3 mt -59.28 -56.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.791 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -65.26 -34.12 77.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.276 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -62.98 -42.85 99.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.715 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -49.89 70.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 24.3 m-85 -62.67 -47.07 85.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.968 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.0 89.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.891 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -65.67 -40.81 92.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.43 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 38.7 tptt -85.01 -18.95 32.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.984 0.421 . . . . 0.0 110.489 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.763 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 40.3 tp -66.6 -32.13 73.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.715 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.1 -40.94 91.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.133 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.84 -50.66 27.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.76 40.13 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 119.59 -1.29 . . . . 0.0 113.639 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.763 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 40.2 mt -100.37 164.84 11.75 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.474 -0.427 . . . . 0.0 109.992 172.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -108.2 151.57 41.47 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.3 -23.93 48.61 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.025 2.483 . . . . 0.0 112.965 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.4 p -81.2 -39.34 25.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.634 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.44 -35.94 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.844 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.59 -22.04 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.02 0.438 . . . . 0.0 110.205 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 80' ' ' VAL . 55.5 ttt85 -69.37 -44.23 71.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.32 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -57.71 -48.61 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.673 0.273 . . . . 0.0 110.498 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.06 -36.12 60.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.33 0.586 . . . . 0.0 110.121 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.59 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 1.9 t-80 -66.85 -39.34 87.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.535 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 76' ' ' ARG . 60.0 t -72.97 -48.46 44.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.02 -177.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -38.2 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.2 tp -71.16 -32.72 69.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.257 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.609 ' HA ' ' HB ' ' A' ' 100' ' ' THR . 52.4 t60 -55.68 -50.64 69.74 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -71.06 -40.31 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.42 -52.62 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.584 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.9 mtt -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.302 . . . . 0.0 111.35 -178.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -66.31 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.879 0.371 . . . . 0.0 110.384 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.532 ' HG2' ' HZ2' ' A' ' 16' ' ' TRP . 27.2 tp60 -75.02 -29.29 60.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.068 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.238 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.89 -44.16 86.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.436 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.74 -42.08 96.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.753 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.0 t -67.0 -22.66 65.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.768 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.75 6.45 52.47 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.03 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.18 -36.04 71.81 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -113.91 115.06 27.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.404 172.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -70.37 -24.52 62.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.151 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.481 ' O ' ' HB3' ' A' ' 95' ' ' LEU . 11.0 pt20 -127.49 -179.27 4.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.417 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 101' ' ' GLU . 29.7 p-10 -114.52 95.36 39.81 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.628 0.728 . . . . 0.0 110.982 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.19 -30.81 6.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.755 2.303 . . . . 0.0 112.879 -175.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.609 ' HB ' ' HA ' ' A' ' 83' ' ' HIS . 12.9 p -73.39 -19.55 60.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.147 0.499 . . . . 0.0 111.175 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.404 ' HB3' ' ND2' ' A' ' 98' ' ' ASN . 3.8 tm-20 -95.45 -24.21 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.559 0.695 . . . . 0.0 109.24 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 55' ' ' PRO . . . -71.87 -12.67 61.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.5 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.9 176.33 7.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -65.64 139.21 97.0 Favored Pre-proline 0 N--CA 1.467 0.419 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.242 -171.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -43.78 107.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 124.938 3.759 . . . . 0.0 114.973 -170.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.485 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 98.9 Cg_endo -93.53 -32.03 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.303 2.669 . . . . 0.0 113.585 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.883 ' HG2' ' H ' ' A' ' 108' ' ' HIS . 11.3 ttp180 68.22 -166.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -172.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.883 ' H ' ' HG2' ' A' ' 107' ' ' ARG . 33.1 p-80 -150.0 142.9 16.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.623 ' HD3' ' CG1' ' A' ' 80' ' ' VAL . 90.9 Cg_endo -102.44 -161.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 123.426 2.751 . . . . 0.0 112.094 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.85 114.39 28.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 148.53 36.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.157 0.504 . . . . 0.0 110.605 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.467 ' HB2' ' HA ' ' A' ' 27' ' ' GLN . 14.7 p-80 -93.15 152.17 19.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.309 -171.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 72.3 t60 -84.17 -85.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 167.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 17.8 t-80 173.46 157.09 0.12 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -53.93 133.93 43.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -72.32 77.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.744 0.307 . . . . 0.0 111.563 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.178 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.1 pt -57.75 134.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -127.64 91.46 45.48 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.978 0.418 . . . . 0.0 110.727 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -88.09 22.41 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 123.083 2.522 . . . . 0.0 111.327 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -62.58 -36.3 82.27 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.965 -177.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -126.25 124.64 40.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.214 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.422 HG22 HG23 ' A' ' 8' ' ' THR . 4.2 mp -117.41 -79.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.941 0.4 . . . . 0.0 110.3 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.422 HG23 HG22 ' A' ' 7' ' ' ILE . 14.7 p -122.39 167.5 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.177 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.484 HG12 HD23 ' A' ' 13' ' ' LEU . 57.3 t -61.55 -32.86 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.26 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' HG2' ' OG1' ' A' ' 8' ' ' THR . 13.1 pt-20 -61.07 -22.43 64.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.77 -53.69 54.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.457 ' HE1' HG13 ' A' ' 9' ' ' VAL . 19.7 p-90 -76.29 -24.89 54.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.726 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD23 HG12 ' A' ' 9' ' ' VAL . 1.7 mm? -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.782 0.325 . . . . 0.0 110.195 172.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.71 -48.02 83.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.709 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -63.95 -48.48 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.65 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -57.62 -60.48 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.096 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -59.98 -37.47 79.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.757 -175.272 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.1 m -71.28 -50.37 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.823 0.344 . . . . 0.0 111.2 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -72.07 -44.56 63.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.533 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -90.76 0.84 57.31 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -64.89 -43.62 92.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 170.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 tttm 62.48 94.81 0.05 OUTLIER Pre-proline 0 C--O 1.234 0.245 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.452 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.63 117.59 3.1 Favored 'Trans proline' 0 N--CA 1.474 0.355 0 C-N-CA 123.946 3.097 . . . . 0.0 114.505 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -149.95 -171.25 3.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.824 173.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.8 tp -71.66 114.09 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.001 0.429 . . . . 0.0 110.927 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -128.16 -44.26 1.44 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.233 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 65.83 18.82 11.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.058 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.0 p -146.92 152.16 38.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 0.0 111.47 -174.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -145.83 23.6 1.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.3 p90 -125.51 10.94 7.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.548 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.674 ' HG3' ' HE1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -58.79 115.49 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.461 0.648 . . . . 0.0 110.037 173.247 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 36' ' ' VAL . 16.6 m -67.83 -7.95 32.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -167.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.674 ' HE1' ' HG3' ' A' ' 31' ' ' GLU . 12.3 p90 -64.66 -30.85 71.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.294 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -42.24 20.4 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.92 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.7 m -58.52 -57.4 13.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.504 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' A' ' 77' ' ' TYR . 30.9 m -63.54 -31.03 51.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.722 0.296 . . . . 0.0 111.136 -176.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.615 ' O ' HG12 ' A' ' 41' ' ' VAL . 29.6 tp -64.31 -64.14 0.96 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.39 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.643 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 24.1 ptt85 -72.42 -36.25 68.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.84 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.7 -38.02 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.586 0.231 . . . . 0.0 111.431 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -88.49 -55.22 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.9 p -93.79 -27.06 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -168.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.643 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.4 mp -66.55 -43.92 53.43 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 19.5 Cg_endo -60.51 -25.78 81.37 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.782 1.654 . . . . 0.0 113.137 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 t -108.18 -58.35 2.0 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.541 ' HB2' HG22 ' A' ' 41' ' ' VAL . 11.1 mp -88.43 -6.63 57.54 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 111.335 -176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.45 -16.03 71.12 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.214 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -95.97 9.06 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 110.389 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.456 HD12 ' HG ' ' A' ' 45' ' ' LEU . 67.1 mt -111.7 121.26 40.35 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.856 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.85 134.58 65.41 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.545 2.163 . . . . 0.0 111.887 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.408 HD11 ' NE1' ' A' ' 12' ' ' TRP . 95.3 mt -55.01 -29.53 57.54 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -176.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 94' ' ' LEU . 12.4 mmmm -76.08 -16.13 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -109.53 -1.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.235 0.54 . . . . 0.0 109.806 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.508 HD21 HD23 ' A' ' 45' ' ' LEU . 3.3 tm? -69.77 116.75 10.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.521 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -106.73 152.52 40.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.18 -34.39 87.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.755 2.303 . . . . 0.0 112.12 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.63 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.174 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -70.63 -38.29 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.482 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 99' ' ' PRO . 64.1 mt -64.76 -42.69 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 0.0 110.052 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.87 -41.45 99.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.0 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 60' ' ' ARG . 23.0 ttt180 -63.12 -39.28 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.716 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD22 ' HD3' ' A' ' 65' ' ' LYS . 3.3 tm? -53.1 -46.63 68.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.939 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.466 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 26.1 m-85 -64.7 -49.57 70.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.402 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.67 85.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.89 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.4 m -64.25 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.515 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HD3' HD22 ' A' ' 61' ' ' LEU . 5.0 mptp? -80.92 -29.56 35.51 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.013 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.85 -36.96 80.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 109.884 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.25 -29.84 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.434 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -75.65 -10.57 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.041 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.9 48.33 1.09 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.438 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD23 HG22 ' A' ' 75' ' ' VAL . 34.9 tp -96.29 139.89 31.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.447 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 37.0 m -73.71 133.96 79.17 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.802 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 71' ' ' SER . 50.5 Cg_exo -54.58 -37.39 90.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.295 2.664 . . . . 0.0 112.931 -177.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -65.09 -40.2 94.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.219 0.533 . . . . 0.0 110.491 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.48 ' O ' HG13 ' A' ' 78' ' ' ILE . 18.2 ttm180 -66.56 -34.47 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.815 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.431 HG22 HD23 ' A' ' 70' ' ' LEU . 99.7 t -60.06 -41.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.19 175.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.4 -41.66 98.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.546 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.444 ' CE2' HG21 ' A' ' 36' ' ' VAL . 58.6 t80 -62.84 -47.4 83.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.968 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 74' ' ' ARG . 69.7 mt -57.56 -35.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.002 0.429 . . . . 0.0 110.518 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.466 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 51.0 t-80 -66.23 -40.8 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.242 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.96 -36.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.483 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.54 -35.45 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -69.72 -35.32 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.946 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.38 -40.16 85.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.972 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.4 -58.28 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.04 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 48.4 mtt -83.49 -4.71 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.032 -177.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -66.9 -45.18 78.75 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -71.2 -36.53 71.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.7 91.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.993 0.425 . . . . 0.0 110.417 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 95' ' ' LEU . 45.8 ttp180 -57.8 -55.79 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.403 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 32.0 mt-10 -79.26 9.73 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.398 -175.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.556 ' HB3' HD23 ' A' ' 94' ' ' LEU . 6.8 t -100.69 -9.33 21.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.38 0.26 56.91 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.457 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 92' ' ' SER . 4.2 mm? -80.11 -43.09 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.888 0.375 . . . . 0.0 110.455 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 90' ' ' ARG . 3.7 mm? -111.28 120.74 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.511 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.582 ' HG ' ' HG2' ' A' ' 97' ' ' GLN . 6.6 tp -69.05 -48.88 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.264 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.582 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 75.0 mm-40 -121.23 163.82 17.93 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.026 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.479 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 43.2 t-20 -87.95 110.01 32.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.506 ' HB2' HD12 ' A' ' 58' ' ' ILE . 5.8 Cg_exo -77.28 -15.8 15.79 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 112.81 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -70.12 -33.38 71.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.648 0.261 . . . . 0.0 111.27 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -76.82 -26.68 54.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.147 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.77 -10.03 57.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.249 0.547 . . . . 0.0 110.816 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.51 93.52 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -118.93 117.45 33.7 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.688 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.83 161.65 31.79 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.766 2.311 . . . . 0.0 111.849 174.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.73 155.77 41.24 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.774 2.316 . . . . 0.0 111.772 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 66.28 -151.44 0.22 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.391 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -102.67 104.6 39.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.5 0.191 . . . . 0.0 111.242 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -78.43 -35.22 1.23 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.296 1.997 . . . . 0.0 111.396 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.9 mt -152.6 137.79 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.392 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -82.73 -17.05 45.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.168 0.508 . . . . 0.0 110.38 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -102.14 88.71 3.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.18 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -79.77 98.12 6.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.01 -144.96 0.59 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.295 -177.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -142.9 134.71 26.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.004 -0.435 . . . . 0.0 110.521 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -82.84 80.65 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.23 176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.3 t60 . . . . . 0 C--O 1.246 0.894 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.502 ' HG3' HG23 ' A' ' 2' ' ' ILE . 27.2 ptt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.496 0.188 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.502 HG23 ' HG3' ' A' ' 1' ' ' MET . 35.4 pt -98.88 152.93 4.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.394 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 56.8 68.21 2.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 123.667 0.604 . . . . 0.0 110.716 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.95 -8.72 9.01 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.973 2.449 . . . . 0.0 112.939 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -101.56 102.11 12.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 110.918 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -143.29 93.8 2.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.603 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.8 tt -151.36 106.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.426 0.631 . . . . 0.0 110.581 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 24.0 p -122.64 174.89 6.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.629 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 48' ' ' ILE . 64.6 t -54.27 -49.69 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.347 0.404 . . . . 0.0 111.818 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.97 -43.75 98.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.375 . . . . 0.0 111.301 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -71.46 -36.83 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -73.33 -50.09 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.56 -46.24 90.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.32 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.61 -44.82 85.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.479 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.2 -42.4 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.951 0.405 . . . . 0.0 110.386 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -57.34 -48.97 77.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.098 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.62 -29.03 67.45 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.329 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.1 m -68.36 -50.48 52.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.606 0.241 . . . . 0.0 111.5 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -82.36 -21.89 35.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.753 0.311 . . . . 0.0 111.439 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -100.66 6.68 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.577 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.48 -33.98 10.37 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -98.56 115.85 65.63 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 121.01 0.433 . . . . 0.0 111.239 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -89.38 35.51 0.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 123.212 2.608 . . . . 0.0 112.12 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.3 m80 68.78 -78.9 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.162 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.9 mt -106.4 116.26 31.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -81.6 88.12 6.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.675 0.75 . . . . 0.0 110.514 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -91.37 -46.46 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.177 -176.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 m -85.59 147.65 26.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -84.01 164.75 19.12 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -56.5 117.16 3.58 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -94.78 176.05 6.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.83 0.347 . . . . 0.0 110.663 -175.668 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.514 ' HB2' ' OH ' ' A' ' 77' ' ' TYR . 5.3 m -70.27 -25.86 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.475 ' CD2' HG23 ' A' ' 81' ' ' VAL . 66.5 m-85 -54.78 -40.0 68.99 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -55.84 -38.84 70.59 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.57 -177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -90.22 -56.62 3.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG23 HG21 ' A' ' 81' ' ' VAL . 27.6 m -59.94 -34.38 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -171.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 41' ' ' VAL . 36.9 tp -60.35 -64.81 0.82 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.115 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.693 ' HB2' HD12 ' A' ' 42' ' ' ILE . 17.4 ptt-85 -66.23 -27.66 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 -174.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.5 -37.32 79.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.443 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -92.72 -33.96 14.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -172.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.2 p -102.22 -35.55 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -171.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.693 HD12 ' HB2' ' A' ' 38' ' ' ARG . 28.8 mt -63.21 -53.5 53.41 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.53 -3.43 13.85 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 121.625 1.55 . . . . 0.0 113.208 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.1 p -107.54 -63.35 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 111.67 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.48 18.65 21.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -58.87 -32.8 71.04 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.023 -175.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 t -84.99 8.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.182 0.491 . . . . 0.0 110.899 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 9' ' ' VAL . 43.7 mm -96.35 129.99 32.01 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.201 177.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.575 ' HG2' ' HD2' ' A' ' 52' ' ' LYS . 21.5 Cg_exo -65.97 147.45 84.7 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 172.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.17 -31.18 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.845 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.22 5.3 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HD2' ' HG2' ' A' ' 49' ' ' PRO . 46.9 mttp -116.69 10.22 14.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 109.993 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 58' ' ' ILE . 3.0 tm? -79.84 102.94 9.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.618 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -100.7 151.27 37.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.855 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.1 -31.09 89.29 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.917 2.411 . . . . 0.0 112.438 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.62 95.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.062 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.22 -33.59 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 53' ' ' LEU . 46.2 mt -68.12 -47.36 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.222 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.57 -40.75 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.04 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -58.15 -46.42 85.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.301 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 3.0 tm? -58.49 -43.81 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.56 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 21.4 m-30 -62.33 -43.49 98.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.418 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -44.72 65.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.57 0.544 . . . . 0.0 111.509 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.2 m -61.66 -45.6 93.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.996 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 19.5 pttp -72.25 -23.37 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.913 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.59 -39.82 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.29 -33.31 63.15 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.228 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -68.21 -7.81 33.56 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.663 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.04 6.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.451 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.8 mt -78.75 159.26 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.5 m -101.51 152.87 38.11 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.235 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HA ' HG22 ' A' ' 75' ' ' VAL . 72.4 Cg_exo -50.49 -39.74 54.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.174 2.582 . . . . 0.0 113.125 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.5 p -58.55 -44.72 89.74 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.278 0.561 . . . . 0.0 111.01 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 78' ' ' ILE . 23.7 mmt180 -67.96 -44.94 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.711 -177.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 72' ' ' PRO . 5.9 m -71.05 -23.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.993 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -68.56 -44.07 75.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.514 ' OH ' ' HB2' ' A' ' 32' ' ' SER . 63.8 t80 -65.37 -38.62 90.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.33 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.573 HG21 ' HE2' ' A' ' 65' ' ' LYS . 77.3 mt -61.81 -31.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.987 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.508 ' HE1' ' O ' ' A' ' 100' ' ' THR . 32.1 t60 -68.78 -42.39 77.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.708 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 77' ' ' TYR . 31.9 m -78.05 -36.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.674 -176.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.3 p -65.73 -35.57 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.879 0.371 . . . . 0.0 110.638 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.97 -47.48 71.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.074 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.81 -38.56 88.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.16 -60.01 4.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.245 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.52 -27.92 58.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.947 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.4 ttm -69.55 -21.08 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 68.9 m -65.78 -33.2 75.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -65.36 -35.52 81.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.721 0.296 . . . . 0.0 110.878 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.63 80.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -64.26 -49.86 70.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.484 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 87' ' ' SER . 41.3 mt-10 -58.98 -41.24 87.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 m -68.08 -9.49 46.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.68 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 -2.81 78.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.597 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.66 -40.08 84.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.526 0.679 . . . . 0.0 109.465 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.403 HD21 ' CG ' ' A' ' 99' ' ' PRO . 17.1 tp -116.9 137.86 51.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.403 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.791 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -89.4 -17.71 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 11.9 pt20 -146.08 -179.81 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.349 . . . . 0.0 111.371 -173.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 101' ' ' GLU . 19.3 t30 -105.79 95.45 10.58 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.773 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 7.2 Cg_exo -73.12 -17.29 24.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.963 2.442 . . . . 0.0 112.015 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.508 ' O ' ' HE1' ' A' ' 79' ' ' HIS . 0.2 OUTLIER -72.56 -14.1 61.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.541 ' HB2' ' ND2' ' A' ' 98' ' ' ASN . 10.7 tp10 -79.09 -39.47 33.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 -5.35 59.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.74 95.2 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.905 175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 53.5 mtpt -108.84 141.16 22.75 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.426 -175.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 104' ' ' LYS . 31.5 Cg_exo -58.95 122.0 10.88 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.102 2.535 . . . . 0.0 112.571 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -82.31 85.49 1.65 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.674 2.25 . . . . 0.0 112.134 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 107' ' ' ARG . 18.5 ttt180 -82.51 -18.16 42.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -109.86 95.14 19.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 168.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -87.47 169.46 7.02 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 123.468 2.778 . . . . 0.0 112.966 -172.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -113.08 143.2 44.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.707 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -90.64 162.58 14.88 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -77.93 124.89 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -84.72 131.43 34.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.192 0.52 . . . . 0.0 110.334 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -108.51 5.43 25.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.345 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 69.85 -82.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -166.32 -47.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.613 177.629 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.266 0.555 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -128.36 133.57 66.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.438 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 3.1 mp0 -59.12 140.37 87.39 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.743 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -55.07 -53.12 6.43 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.381 2.054 . . . . 0.0 111.596 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p 49.6 31.42 4.19 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.55 0.74 . . . . 0.0 111.932 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -142.31 83.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.888 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pt -157.4 82.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.685 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.713 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 42.8 p -110.75 173.04 6.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.851 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.719 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 59.2 t -61.94 -35.44 68.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.991 0.425 . . . . 0.0 110.247 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' HG2' HG23 ' A' ' 42' ' ' ILE . 5.9 mt-10 -55.33 -49.77 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.409 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.49 -28.98 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.321 -174.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -66.71 -45.28 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.04 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 78.9 mt -70.37 -31.67 69.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 177.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.09 -46.97 82.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.693 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -71.47 -37.95 71.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.309 0.576 . . . . 0.0 109.918 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -63.76 -63.0 1.29 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.714 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.5 pp -64.69 -27.73 69.12 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -172.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.4 m -73.06 -38.25 66.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.883 0.373 . . . . 0.0 111.277 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.47 -36.86 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.313 0.578 . . . . 0.0 110.666 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -87.51 5.98 36.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.094 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -65.77 -0.34 2.13 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 176.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.598 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . 18.3 ptpt -68.06 174.29 2.5 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.266 175.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.598 ' HD2' ' HB2' ' A' ' 22' ' ' LYS . 88.8 Cg_exo -46.23 122.27 5.32 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.485 2.124 . . . . 0.0 112.09 173.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 31.0 m80 -95.25 23.73 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.019 -171.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 88.7 mt 70.95 -59.83 0.53 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.717 0.636 . . . . 0.0 109.806 -172.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.482 HH22 ' HG2' ' A' ' 84' ' ' GLU . 23.2 mtm180 -77.74 146.67 35.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 172.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -64.77 -73.41 0.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -174.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.8 m 64.88 173.02 0.2 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.682 -176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 m -84.04 -21.37 31.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.04 -0.413 . . . . 0.0 111.443 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.3 t90 72.81 138.16 0.05 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.471 0.708 . . . . 0.0 110.139 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 70.92 9.24 6.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.664 0.745 . . . . 0.0 109.224 -169.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m -73.81 -63.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.615 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.728 ' HA ' HG22 ' A' ' 36' ' ' VAL . 31.2 p90 -76.79 -28.15 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -60.02 -27.25 66.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.292 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 m -91.73 -56.02 3.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.006 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 33' ' ' TYR . 28.9 m -63.63 -40.88 90.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -170.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' O ' HG12 ' A' ' 41' ' ' VAL . 74.0 mt -65.4 -59.97 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.079 -175.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' HB2' HD12 ' A' ' 42' ' ' ILE . 31.8 ptt180 -60.13 -35.88 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.117 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.46 -35.46 81.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.654 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -100.55 -46.02 5.34 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -173.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.6 p -100.43 -20.09 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -167.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD12 ' HB2' ' A' ' 38' ' ' ARG . 8.2 mt -71.04 -50.88 11.27 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.335 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 19.8 Cg_exo -66.97 -19.2 52.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.832 1.688 . . . . 0.0 112.254 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -97.1 -67.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.066 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 53' ' ' LEU . 68.1 mt -106.01 3.77 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.229 -173.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.719 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -59.94 -30.43 69.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.339 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 m -81.35 -1.22 44.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.789 0.328 . . . . 0.0 111.58 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.505 ' O ' HG23 ' A' ' 9' ' ' VAL . 42.1 mm -95.73 128.16 38.77 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.58 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.666 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 34.6 Cg_exo -57.63 140.37 93.23 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.626 2.217 . . . . 0.0 111.504 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -56.94 -40.81 77.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.43 -2.71 43.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 111.341 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 57.6 tttp -103.46 -32.35 9.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.623 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD21 HD13 ' A' ' 45' ' ' LEU . 2.9 tm? -53.48 123.88 13.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.941 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 56.7 mt-30 -117.81 159.92 40.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.701 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.32 -24.71 69.37 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.777 2.318 . . . . 0.0 112.709 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.65 74.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 45' ' ' LEU . 20.2 m-20 -69.66 -42.31 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.303 0.573 . . . . 0.0 110.086 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.7 mt -69.11 -34.64 64.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.134 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -57.08 -48.01 79.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.76 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -62.41 -39.11 92.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.887 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.55 -49.46 76.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.193 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.497 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.2 m-85 -59.88 -53.13 61.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.633 177.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.95 84.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.689 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.4 t -62.98 -41.33 99.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -79.27 -33.09 43.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.398 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.544 ' HG ' ' HG2' ' A' ' 106' ' ' PRO . 3.4 mm? -63.79 -34.07 77.08 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.092 0.473 . . . . 0.0 110.028 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.82 -32.93 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.527 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.9 m -78.01 -22.19 49.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.938 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.37 42.97 4.13 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.24 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 66' ' ' LEU . 1.5 pt? -81.26 161.24 24.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 7.3 m -67.26 129.27 93.82 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.849 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' HA ' HG12 ' A' ' 75' ' ' VAL . 52.6 Cg_exo -54.69 -34.3 83.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.118 2.545 . . . . 0.0 112.996 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 p -62.22 -30.46 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.96 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.541 ' O ' HG12 ' A' ' 78' ' ' ILE . 18.9 tpp85 -72.0 -52.2 18.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.319 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.533 HG11 HD21 ' A' ' 66' ' ' LEU . 14.6 p -68.95 -27.86 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.004 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.7 -41.74 91.97 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.01 -42.22 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.077 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 74' ' ' ARG . 51.0 mm -56.64 -40.84 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.383 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.497 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 19.3 t-80 -60.35 -45.4 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.5 -36.77 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.729 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.1 p -72.97 -37.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.82 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.41 ' HG ' HG21 ' A' ' 100' ' ' THR . 25.2 tp -73.6 -29.51 62.43 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.451 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 55.2 t-80 -61.11 -51.17 70.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.572 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HG2' HH22 ' A' ' 26' ' ' ARG . 10.5 tp10 -59.48 -50.26 74.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.015 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.08 87.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.018 -176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.22 -25.97 61.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.537 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 51.5 m -71.17 -28.36 64.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.671 0.272 . . . . 0.0 110.423 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -41.71 98.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.684 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -64.61 -41.12 96.41 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.516 176.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.79 -46.09 91.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.012 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 87' ' ' SER . 48.8 mm-40 -65.46 -25.0 67.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.312 -179.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -78.88 -14.9 58.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.635 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.99 -2.9 85.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.906 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.684 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -81.67 -14.48 56.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.238 0.542 . . . . 0.0 110.295 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.7 tp -120.87 123.14 41.82 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.53 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.78 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.2 pt? -77.93 -30.57 50.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.641 -174.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.473 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 4.9 pp0? -138.32 153.8 49.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.72 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 2.1 m-20 -94.74 104.71 15.27 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 15.3 Cg_exo -67.82 -26.04 38.81 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 111.874 -176.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 83' ' ' HIS . 2.1 p -82.74 -9.9 59.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.371 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.06 -33.66 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 109.6 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.56 25.92 11.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.868 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.6 112.46 22.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.17 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 44.1 mttp -73.37 133.85 80.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.579 -177.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 7.3 Cg_exo -73.35 151.61 48.57 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.623 2.216 . . . . 0.0 111.017 173.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.544 ' HG2' ' HG ' ' A' ' 66' ' ' LEU . 46.6 Cg_exo -57.35 -29.21 83.38 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.54 2.16 . . . . 0.0 112.102 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -71.6 103.66 3.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.345 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 109' ' ' PRO . 63.4 m-70 -96.11 132.0 27.73 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.913 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 108' ' ' HIS . 31.2 Cg_exo -58.89 156.72 31.82 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.722 2.282 . . . . 0.0 112.66 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.873 ' H ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -77.97 26.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.259 -176.752 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -77.35 -179.72 5.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.815 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -83.57 85.09 7.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.03 0.443 . . . . 0.0 109.838 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -122.98 86.75 2.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -108.76 125.56 52.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.627 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -160.71 139.85 10.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 111.73 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -131.06 -20.97 2.7 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 166.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 C--O 1.247 0.953 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.949 176.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtm . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.683 0.278 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.3 mt -86.76 -41.76 15.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.984 0.421 . . . . 0.0 110.15 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -120.11 91.15 45.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.453 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.8 -48.72 0.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.557 2.171 . . . . 0.0 111.631 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m 60.27 -176.55 0.1 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.454 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -173.25 150.91 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.772 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -76.66 89.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.945 0.879 . . . . 0.0 110.909 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.712 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 10.9 m -123.82 155.73 37.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.127 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.21 -46.03 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.465 ' HB3' HG12 ' A' ' 42' ' ' ILE . 12.5 pt-20 -68.31 -17.34 64.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.553 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.712 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -65.86 -62.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.789 -178.592 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -71.17 -24.99 62.35 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.781 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.578 HD12 ' HG2' ' A' ' 34' ' ' GLU . 1.5 mm? -63.64 -44.62 93.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.061 0.458 . . . . 0.0 110.334 173.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.493 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 9.8 t30 -73.37 -24.36 60.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 -177.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 11.1 mmm-85 -73.2 -41.46 63.77 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.741 0.782 . . . . 0.0 108.999 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.464 ' O ' ' HD1' ' A' ' 20' ' ' TYR . 24.4 t-105 -58.39 -37.54 75.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.773 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.945 HD21 ' HG3' ' A' ' 34' ' ' GLU . 80.3 mt -49.57 -51.77 34.65 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.612 0.57 . . . . 0.0 111.135 177.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 m -68.23 -26.29 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.051 0.453 . . . . 0.0 110.989 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.72 -60.7 2.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.79 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.624 ' CE2' ' HB3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -94.93 7.38 46.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -171.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -56.28 -29.34 61.02 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.123 0.487 . . . . 0.0 110.8 175.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -134.95 80.73 47.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.794 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -90.63 -152.54 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.217 2.611 . . . . 0.0 112.469 -175.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -129.22 135.74 49.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.703 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 mt 68.99 -79.39 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.571 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 15.7 ptt180 -67.14 117.57 9.35 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.457 0.646 . . . . 0.0 111.712 -170.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 28' ' ' SER . 21.7 pt20 -126.86 145.34 50.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.068 176.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 7.8 t 176.46 -165.46 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -78.44 89.42 4.42 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.624 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 6.6 m-90 -67.93 -32.07 72.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.065 -175.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.36 -2.81 26.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.576 -174.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.6 m -59.74 -27.6 66.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.697 0.284 . . . . 0.0 111.289 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.499 ' HA ' HG21 ' A' ' 81' ' ' VAL . 62.0 m-85 -83.46 -35.17 25.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.579 . . . . 0.0 110.603 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.945 ' HG3' HD21 ' A' ' 17' ' ' LEU . 3.1 tm-20 -79.8 -47.74 14.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.072 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -57.08 -51.72 68.14 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 81' ' ' VAL . 16.1 m -59.72 -37.96 73.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.442 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.534 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.3 mp -64.88 -63.69 1.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.808 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.629 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 11.5 ptm180 -59.45 -39.29 83.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.005 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.52 -40.81 96.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -101.12 -52.03 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 37' ' ' LEU . 14.6 m -96.37 -10.61 8.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -168.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.629 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -77.46 -43.65 2.55 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.49 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.619 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 26.0 Cg_exo -64.9 -14.69 46.5 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.819 1.679 . . . . 0.0 112.096 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.8 p -106.6 -67.33 0.95 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.686 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.1 mt -105.82 -2.12 23.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.221 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -63.14 -30.89 78.88 Favored Glycine 0 CA--C 1.513 -0.057 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.283 -175.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 m -88.67 8.78 26.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.804 0.335 . . . . 0.0 111.129 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.5 mt -104.69 126.25 31.79 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.98 137.74 80.05 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.538 2.159 . . . . 0.0 111.868 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -27.81 67.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.924 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.45 -19.59 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.03 0.443 . . . . 0.0 110.874 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -104.95 -10.59 17.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.245 0.545 . . . . 0.0 110.308 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.55 117.01 6.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.659 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -95.41 148.19 34.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.108 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.27 -24.12 72.79 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.639 2.226 . . . . 0.0 111.88 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.82 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.24 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -71.1 -42.32 69.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.365 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.208 0.528 . . . . 0.0 109.844 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.568 ' HG2' ' HB3' ' A' ' 104' ' ' LYS . 0.7 OUTLIER -56.0 -53.47 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.446 174.637 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.62 -39.29 83.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.107 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.4 tm? -57.78 -51.44 69.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.844 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.16 -43.17 99.31 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.955 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.74 84.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.712 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.5 m -63.52 -34.46 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.137 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 3.5 mmmp? -58.35 -49.35 77.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -75.93 -32.42 59.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.336 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -55.71 -39.68 71.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -74.5 -4.4 36.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.427 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.35 40.4 13.38 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.743 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -90.08 147.8 23.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -178.202 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.2 m -60.12 133.99 90.37 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 123.316 0.385 . . . . 0.0 111.192 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 71' ' ' SER . 77.2 Cg_exo -52.21 -35.94 65.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.783 2.988 . . . . 0.0 113.838 -178.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.0 m -65.63 -33.95 77.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 110.381 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.461 ' O ' HD13 ' A' ' 78' ' ' ILE . 22.7 mmt85 -80.77 -2.54 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.395 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -95.51 -42.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -57.4 -53.09 62.04 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.56 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.412 ' HE2' HG11 ' A' ' 36' ' ' VAL . 63.8 t80 -57.1 -54.11 50.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.232 -177.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.476 ' HA ' HG12 ' A' ' 81' ' ' VAL . 1.8 mp -59.04 -40.23 80.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.58 -53.31 53.51 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.935 0.397 . . . . 0.0 110.718 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.58 -53.8 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.253 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.53 HG11 HG21 ' A' ' 36' ' ' VAL . 13.9 p -63.08 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.602 -174.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.56 -42.48 98.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.328 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.447 ' CD2' ' HB ' ' A' ' 100' ' ' THR . 20.7 m80 -60.38 -56.83 16.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.655 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.71 -28.16 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -174.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.75 86.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 110.639 177.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.15 -24.52 54.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.073 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.653 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 66.8 m -59.36 -37.21 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -56.59 -41.27 76.7 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.751 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.2 -39.31 92.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.778 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.562 HH11 ' HB3' ' A' ' 98' ' ' ASN . 55.9 ttp180 -64.24 -51.07 65.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.51 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 87' ' ' SER . 6.1 mm-40 -63.93 -23.38 67.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.141 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -70.18 -25.7 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.043 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.15 2.77 51.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.901 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.751 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -89.31 -18.61 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 110.192 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.3 tp -130.3 117.48 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.468 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.672 ' H ' HD23 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -88.41 -25.52 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.526 -176.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.56 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.3 mt-30 -100.97 169.76 8.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.807 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.562 ' HB3' HH11 ' A' ' 90' ' ' ARG . 6.7 p30 -122.76 98.24 43.21 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.615 0.722 . . . . 0.0 110.659 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.6 -17.05 11.45 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.042 2.495 . . . . 0.0 111.526 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.447 ' HB ' ' CD2' ' A' ' 83' ' ' HIS . 3.5 p -74.6 -50.86 16.26 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.751 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.63 -18.91 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.914 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 11.53 23.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.553 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.09 146.75 25.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HB3' ' HG2' ' A' ' 59' ' ' GLN . 35.7 tttp -73.48 127.25 89.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 112.356 -171.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.652 ' HB3' ' HG3' ' A' ' 109' ' ' PRO . 71.9 Cg_endo -81.0 142.4 13.74 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.845 2.363 . . . . 0.0 112.038 172.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 39.0 Cg_exo -60.84 -65.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.346 2.031 . . . . 0.0 110.756 173.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -129.4 -71.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -139.5 102.03 7.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.983 0.421 . . . . 0.0 110.3 173.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.652 ' HG3' ' HB3' ' A' ' 105' ' ' PRO . 86.0 Cg_endo -83.04 -13.43 9.1 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.633 2.222 . . . . 0.0 111.613 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.469 HD22 ' HG2' ' A' ' 109' ' ' PRO . 2.9 mm? -82.52 81.25 8.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.579 ' HG2' ' HB3' ' A' ' 113' ' ' HIS . 43.6 tt0 -104.4 143.59 32.8 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.161 -1.381 . . . . 0.0 110.461 -169.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -74.66 54.27 0.6 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.555 0.693 . . . . 0.0 110.591 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.579 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 2.5 t-80 -150.87 97.16 2.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.849 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -132.65 -72.09 0.52 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 27.7 t60 59.16 112.66 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 124.192 0.932 . . . . 0.0 112.807 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -78.23 113.28 16.04 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.439 179.516 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.729 ' HG3' HG13 ' A' ' 2' ' ' ILE . 25.0 ptt? . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.461 0.172 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.729 HG13 ' HG3' ' A' ' 1' ' ' MET . 27.0 mt -130.75 65.47 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-O 121.233 0.54 . . . . 0.0 109.948 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -119.84 119.28 31.29 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.857 175.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.48 155.61 63.2 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.83 2.353 . . . . 0.0 113.009 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -132.74 149.64 52.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.513 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 30.5 mmtp -124.17 -153.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.234 -175.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tt -66.28 104.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.808 0.813 . . . . 0.0 110.786 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 13.0 p -94.97 178.11 5.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.341 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.583 ' HA ' ' NE1' ' A' ' 12' ' ' TRP . 59.8 t -62.84 -37.09 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.311 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.67 -23.3 67.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.334 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -71.13 -52.13 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.667 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.583 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 61.7 p-90 -79.29 -24.3 42.99 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.023 -176.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 42' ' ' ILE . 24.0 mt -71.89 -34.5 69.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.678 174.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -57.85 -41.89 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 174.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.482 ' NE ' ' HA ' ' A' ' 15' ' ' ARG . 3.3 mmp_? -67.34 -45.13 77.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.313 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' O ' ' HD1' ' A' ' 20' ' ' TYR . 6.5 t-105 -55.97 -56.79 16.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.614 ' HA ' ' CE1' ' A' ' 20' ' ' TYR . 8.9 mp -55.55 -46.65 77.1 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.419 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.2 m -68.53 -26.7 65.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.02 0.438 . . . . 0.0 111.263 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.61 -60.62 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.602 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.614 ' CE1' ' HA ' ' A' ' 17' ' ' LEU . 17.8 p90 -74.53 -10.09 59.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.131 -173.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 22' ' ' LYS . . . -56.15 -51.63 67.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 8.4 mtmp? 69.71 164.44 0.14 Allowed Pre-proline 0 N--CA 1.465 0.28 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.502 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.49 178.62 7.17 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.511 2.141 . . . . 0.0 111.572 173.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.445 ' C ' HD23 ' A' ' 25' ' ' LEU . 91.7 m-70 70.55 -91.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.351 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.445 HD23 ' C ' ' A' ' 24' ' ' HIS . 1.5 pt? 35.15 40.68 0.06 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.185 0.994 . . . . 0.0 112.448 -174.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.627 ' HD2' ' O ' ' A' ' 26' ' ' ARG . 3.1 tmm_? -70.94 -21.81 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.069 -176.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -61.43 -31.85 71.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.908 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.2 t 70.01 154.79 0.13 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.843 0.714 . . . . 0.0 111.035 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 t -166.99 -48.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.2 t90 61.25 109.14 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.397 0.679 . . . . 0.0 111.287 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -111.79 157.47 20.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.904 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.462 ' O ' HG22 ' A' ' 36' ' ' VAL . 34.8 m -94.57 -8.26 38.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.623 0.249 . . . . 0.0 111.407 175.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.07 -42.91 95.55 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -170.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -82.16 -33.19 29.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.391 0.615 . . . . 0.0 109.578 -177.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.9 m -63.91 -54.07 40.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.252 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 32' ' ' SER . 35.2 m -66.21 -30.51 50.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.707 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.605 ' O ' HG12 ' A' ' 41' ' ' VAL . 25.9 tp -65.58 -65.25 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.698 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 37.7 ptt180 -68.26 -37.18 80.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -174.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.31 -33.4 74.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.732 0.301 . . . . 0.0 111.644 -177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -95.2 -48.32 5.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 37' ' ' LEU . 10.0 p -100.62 -18.91 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.698 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -69.49 -47.42 26.24 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.673 -0.642 . . . . 0.0 112.221 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 59.4 Cg_endo -72.96 -5.14 16.68 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 121.519 1.48 . . . . 0.0 112.826 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 41' ' ' VAL . 9.5 p -108.22 -66.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.899 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.762 ' HG ' HD12 ' A' ' 48' ' ' ILE . 11.2 mp -107.72 9.27 29.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -175.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.533 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -63.95 -24.03 68.11 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.873 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -95.61 19.01 11.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 111.182 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.762 HD12 ' HG ' ' A' ' 45' ' ' LEU . 42.2 mt -106.67 125.32 33.04 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.032 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.732 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 21.6 Cg_endo -61.55 144.63 97.91 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.791 2.328 . . . . 0.0 112.064 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.477 HD13 HD13 ' A' ' 94' ' ' LEU . 95.2 mt -69.67 -25.73 64.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -168.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -83.6 -26.61 29.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.773 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.732 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 6.6 tmtm? -78.93 -22.31 45.98 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.27 106.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -93.79 157.93 37.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.763 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.94 -26.1 81.42 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 121.876 1.717 . . . . 0.0 110.572 168.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.31 68.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.915 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -71.42 -36.49 71.34 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.402 HG22 ' CE2' ' A' ' 62' ' ' TYR . 50.4 mt -67.3 -40.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.701 175.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -59.31 -43.93 92.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.437 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.71 -43.03 89.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.917 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD23 HD13 ' A' ' 45' ' ' LEU . 2.8 tm? -54.41 -46.86 73.25 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.272 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.488 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 27.5 m-85 -65.05 -46.4 81.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.28 -52.04 63.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.661 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.9 m -69.46 -17.24 63.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.09 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 5.4 mmtm -97.61 -28.54 13.89 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.571 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.65 -36.31 83.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.33 -31.86 64.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.25 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.4 m -77.46 -4.91 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.225 -177.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.47 34.98 6.38 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.111 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -76.81 128.93 35.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 75' ' ' VAL . 41.6 m -62.93 128.41 92.07 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.141 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.54 -36.7 40.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.501 2.801 . . . . 0.0 113.148 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -63.06 -41.12 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.283 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.543 ' O ' HG12 ' A' ' 78' ' ' ILE . 60.9 ttm-85 -81.72 -27.55 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.373 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 71' ' ' SER . 94.9 t -60.3 -42.41 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.44 0.638 . . . . 0.0 109.329 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -69.53 -33.67 73.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.159 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.16 -47.46 79.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.687 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 74' ' ' ARG . 50.8 mm -61.91 -35.43 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.26 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.488 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 25.4 t-80 -60.24 -44.44 95.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.233 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.58 -39.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.478 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -69.26 -37.96 76.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.54 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.54 -33.06 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 100' ' ' THR . 0.2 OUTLIER -52.83 -54.07 39.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.536 176.307 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 13.5 pt-20 -77.44 -38.95 48.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.538 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.46 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 0.0 111.568 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -72.13 -30.44 65.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.464 . . . . 0.0 110.122 179.076 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 t -65.75 -30.95 71.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.257 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 96.6 mt-30 -59.3 -39.15 82.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.327 175.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.945 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.54 -41.36 93.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.334 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.751 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 19.9 ttp180 -59.21 -52.34 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.385 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -77.19 1.99 16.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.484 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.6 t -92.79 -8.53 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 172.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 -8.0 79.43 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.026 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.945 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -87.67 -8.24 56.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 110.866 -176.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.751 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 25.5 tp -132.14 135.46 46.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.498 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.822 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.1 pt? -78.22 -32.05 49.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.471 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 12.8 pt20 -145.92 -174.7 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.014 -175.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.83 100.31 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.317 0.579 . . . . 0.0 111.009 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.19 -14.16 37.4 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.74 2.294 . . . . 0.0 111.309 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -65.13 -34.58 78.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.974 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -70.87 -19.74 62.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.14 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.61 4.78 38.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.601 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -93.32 99.6 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.277 0.561 . . . . 0.0 110.126 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -120.19 138.51 27.21 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.94 -176.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.31 143.15 88.5 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.0 2.467 . . . . 0.0 112.451 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.661 ' HB2' ' HG3' ' A' ' 109' ' ' PRO . 44.2 Cg_endo -69.73 95.19 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.565 2.176 . . . . 0.0 112.537 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -79.53 -47.66 15.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.945 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -139.61 77.24 28.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.477 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.661 ' HG3' ' HB2' ' A' ' 106' ' ' PRO . 98.1 Cg_endo -96.82 -157.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.252 2.635 . . . . 0.0 112.59 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -107.08 134.21 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.773 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.95 86.43 5.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.393 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.96 -82.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 173.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 57.58 84.18 0.1 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.958 0.409 . . . . 0.0 110.711 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.23 106.52 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.451 0.643 . . . . 0.0 111.256 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.67 115.87 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.925 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -155.0 -41.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.935 0.397 . . . . 0.0 110.22 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.7 p80 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.499 -0.763 . . . . 0.0 109.28 178.213 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.62 96.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.445 ' H ' ' HD3' ' A' ' 4' ' ' PRO . 36.3 tt0 -106.36 -44.36 0.13 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 115.354 -0.839 . . . . 0.0 113.222 -172.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.445 ' HD3' ' H ' ' A' ' 3' ' ' GLU . 17.1 Cg_exo -69.25 36.16 0.21 Allowed 'Trans proline' 0 C--N 1.363 1.339 0 C-N-CA 122.758 2.305 . . . . 0.0 114.187 -175.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -173.16 104.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -100.36 140.82 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.585 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.1 mt 57.86 70.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.478 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 67.5 p -107.19 176.2 5.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.092 -178.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.785 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.6 t -62.55 -41.69 92.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.734 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -36.11 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.889 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 51.8 mt-30 -70.08 -33.7 72.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.115 0.483 . . . . 0.0 110.321 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -66.84 -50.37 62.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.822 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.773 HD12 HD11 ' A' ' 42' ' ' ILE . 83.8 mt -66.11 -36.57 83.52 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -54.89 -46.19 74.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.907 0.384 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.71 -35.67 38.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.789 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -59.78 -53.22 60.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.154 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 6.8 mp -58.59 -42.44 88.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.566 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.7 m -66.53 -36.84 83.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.683 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -88.15 -42.15 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.834 0.35 . . . . 0.0 111.717 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -89.95 4.77 49.05 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -62.51 -59.66 4.63 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.804 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . 65.4 mttm 69.13 168.49 0.12 Allowed Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.504 175.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.804 ' HD2' ' HB3' ' A' ' 22' ' ' LYS . 11.4 Cg_endo -55.02 144.38 68.88 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.867 2.378 . . . . 0.0 112.984 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -77.17 79.83 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.992 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 25' ' ' LEU . 16.1 tp -134.48 127.97 32.49 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 63.52 22.69 13.31 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.476 0.485 . . . . 0.0 110.209 -171.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -57.35 -40.25 77.65 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.073 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m 52.35 32.75 11.57 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.526 0.516 . . . . 0.0 111.985 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 p 48.56 38.42 11.11 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.999 0.52 . . . . 0.0 111.972 -175.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -69.36 102.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.492 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -161.72 25.16 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.911 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 m -57.02 -50.34 73.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.905 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -80.3 -30.84 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.102 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 58.8 mm-40 -55.6 -57.64 11.11 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.313 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -54.56 -63.92 1.0 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.616 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -56.74 -38.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.596 ' O ' HG22 ' A' ' 41' ' ' VAL . 19.6 tp -66.24 -64.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.305 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 18.0 ptp180 -57.85 -43.31 85.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.154 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.1 tp -62.75 -41.65 99.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.967 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -100.15 -42.15 6.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -170.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 37' ' ' LEU . 4.1 m -100.42 -16.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.773 HD11 HD12 ' A' ' 13' ' ' LEU . 15.8 mm -72.68 -53.55 5.53 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 120.217 -0.593 . . . . 0.0 112.305 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 Cg_exo -66.37 -8.56 21.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 121.902 1.735 . . . . 0.0 112.681 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 p -107.19 -67.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.83 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 57' ' ' ASP . 3.5 mm? -98.24 -17.81 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.397 -176.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.785 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.23 -34.5 90.13 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.468 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.6 m -77.91 7.64 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.979 0.419 . . . . 0.0 111.357 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 71.2 mt -116.89 133.61 23.06 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.167 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 32.7 Cg_exo -60.89 145.66 98.71 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.74 2.293 . . . . 0.0 111.547 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.652 ' HB3' HD13 ' A' ' 95' ' ' LEU . 4.9 mp -66.57 -23.78 66.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -175.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -1.88 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.799 0.333 . . . . 0.0 111.246 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 35.5 tttm -123.23 7.75 9.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 173.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.671 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -72.56 99.31 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.446 0.641 . . . . 0.0 109.602 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -94.89 140.5 22.53 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.231 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.07 -34.18 94.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.038 2.492 . . . . 0.0 112.215 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.5 90.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.529 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.07 -32.08 66.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.557 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 HD11 ' A' ' 53' ' ' LEU . 71.2 mt -64.82 -46.07 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.949 174.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.51 -38.04 89.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.139 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -61.08 -38.75 87.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.474 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.83 -46.82 84.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.429 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.6 m-85 -62.91 -47.5 82.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.25 99.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.503 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -67.5 -39.56 85.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.789 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.911 ' HB3' HD12 ' A' ' 70' ' ' LEU . 3.8 mptp? -78.57 -20.35 50.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.276 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.81 -42.05 95.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.6 -27.1 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.652 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.8 m -67.19 -22.05 65.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.59 5.5 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.936 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' ' 65' ' ' LYS . 72.1 mt -86.56 128.22 34.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.607 -0.349 . . . . 0.0 110.166 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.476 ' OG ' ' HG2' ' A' ' 74' ' ' ARG . 24.3 p -70.98 151.14 95.05 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.84 -36.71 43.67 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.364 2.709 . . . . 0.0 113.414 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -69.56 -34.08 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 111.694 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.476 ' HG2' ' OG ' ' A' ' 71' ' ' SER . 30.3 mmm-85 -75.19 -37.75 61.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.306 0.574 . . . . 0.0 109.645 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 80' ' ' VAL . 67.2 ttt180 -58.89 -44.86 91.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.939 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.5 -46.76 86.98 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.783 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.525 ' HA ' HG12 ' A' ' 81' ' ' VAL . 74.5 mt -57.15 -39.65 68.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.697 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.429 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 30.9 t-80 -62.91 -37.06 85.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 76' ' ' ARG . 86.7 t -75.18 -45.38 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.306 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 78' ' ' ILE . 14.2 p -68.71 -38.81 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.02 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.466 ' HG ' HG21 ' A' ' 100' ' ' THR . 32.5 tp -70.01 -35.44 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.426 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 48.2 t-80 -58.5 -49.51 77.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.018 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.5 -56.95 15.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.187 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.42 -46.07 80.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.606 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 mmt -74.7 -19.1 60.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.909 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -70.61 -42.31 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.408 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 15.1 mm-40 -67.38 -41.73 84.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.149 176.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -59.77 -39.99 86.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 175.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.642 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 34.2 ttt180 -59.02 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.985 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.54 -18.36 65.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.657 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m -83.27 0.26 46.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.6 11.59 77.18 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.365 175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.617 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -100.75 -0.14 37.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.204 0.526 . . . . 0.0 110.664 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.652 HD13 ' HB3' ' A' ' 50' ' ' LEU . 13.9 tp -114.76 -98.3 0.44 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.875 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.544 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 44.4 tp 170.94 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.687 0.756 . . . . 0.0 109.211 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.544 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 49.7 mt-30 -144.86 -171.1 3.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.099 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -107.59 94.9 12.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 121.723 0.773 . . . . 0.0 110.52 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 73.2 Cg_endo -82.89 -17.72 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.457 2.105 . . . . 0.0 112.061 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.466 HG21 ' HG ' ' A' ' 82' ' ' LEU . 9.0 p -74.43 -18.71 60.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' HE2' ' A' ' 104' ' ' LYS . 27.6 tt0 -91.7 -27.33 18.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.75 -29.0 40.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.94 134.72 38.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -128.48 152.11 77.8 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.184 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HB2' ' HD3' ' A' ' 106' ' ' PRO . 52.6 Cg_exo -52.79 -48.35 22.5 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.623 2.215 . . . . 0.0 113.598 175.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.495 ' HD3' ' HB2' ' A' ' 105' ' ' PRO . 6.1 Cg_exo -80.02 -169.84 0.88 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.054 1.836 . . . . 0.0 111.908 175.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -85.54 -80.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -171.5 98.61 0.4 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.343 0.592 . . . . 0.0 110.167 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -84.79 -152.95 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.87 2.38 . . . . 0.0 112.316 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.46 48.74 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.73 -64.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.651 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -144.79 93.04 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.328 -170.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -150.28 -28.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.35 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.553 ' O ' ' HB2' ' A' ' 115' ' ' HIS . 48.6 t-80 -97.4 71.93 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.996 -176.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.553 ' HB2' ' O ' ' A' ' 114' ' ' HIS . 2.7 t-80 166.38 -45.25 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -158.68 144.21 16.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.031 -1.441 . . . . 0.0 107.797 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 50.6 m170 . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.061 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.808 0.337 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -83.92 77.54 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.283 1.039 . . . . 0.0 109.88 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -143.16 88.05 8.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.641 -178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.32 -40.2 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.3 2.667 . . . . 0.0 113.701 -173.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -88.03 127.94 35.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.921 0.391 . . . . 0.0 110.76 -174.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -119.68 -133.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.575 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt 45.08 61.15 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.658 1.183 . . . . 0.0 113.337 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.756 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 77.7 p -88.3 168.34 12.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.245 171.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.015 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 60.9 t -56.36 -41.88 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.492 ' HA ' HG13 ' A' ' 42' ' ' ILE . 11.5 pt-20 -68.56 -42.78 77.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.633 0.254 . . . . 0.0 111.322 -177.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.81 -39.42 83.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 0.0 110.571 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -71.71 -38.9 70.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.656 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -58.19 -47.82 82.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -177.724 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.968 0.413 . . . . 0.0 110.553 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -67.22 -32.43 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -59.16 -43.06 92.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 34' ' ' GLU . 11.3 mp -66.32 -50.52 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.643 176.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 m -53.81 -48.18 70.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.774 -177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -76.88 -52.91 8.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.364 -173.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -72.36 -33.97 67.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.566 ' HB1' HG21 ' A' ' 29' ' ' THR . . . -76.65 -54.92 6.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.28 178.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? 52.46 83.71 0.22 Allowed Pre-proline 0 C--O 1.234 0.265 0 O-C-N 123.83 0.706 . . . . 0.0 111.501 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.97 102.55 0.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.803 2.336 . . . . 0.0 112.374 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -97.66 -38.33 9.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.578 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 tt -148.54 -45.91 0.15 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.299 -174.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -64.52 106.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.944 -174.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -70.55 -46.71 63.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.744 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -80.87 91.41 5.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.02 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.566 HG21 ' HB1' ' A' ' 21' ' ' ALA . 41.7 m -121.3 97.37 5.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.501 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -165.95 138.64 4.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.335 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HG2' ' H ' ' A' ' 32' ' ' SER . 11.5 tt0 -137.95 -157.24 0.76 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.542 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.7 m -80.55 -46.21 16.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HD1' ' H ' ' A' ' 33' ' ' TYR . 8.3 m-85 -51.96 -62.43 1.64 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.771 0.669 . . . . 0.0 112.343 -170.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.612 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -60.77 -46.39 90.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.284 -174.314 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 m -56.47 -54.07 50.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.132 -175.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 32' ' ' SER . 21.5 m -68.05 -39.61 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 CA-C-O 120.986 0.422 . . . . 0.0 111.335 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 41' ' ' VAL . 17.5 tp -65.52 -56.11 14.12 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.627 ' HA ' HD13 ' A' ' 42' ' ' ILE . 15.7 ptm180 -60.56 -37.8 82.46 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -176.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.58 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.614 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -91.77 -46.81 7.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 37' ' ' LEU . 13.0 p -92.0 -32.46 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.627 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.4 mp -62.95 -48.38 84.95 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.51 -37.78 90.12 Favored 'Trans proline' 0 C--N 1.355 0.868 0 C-N-CA 122.108 1.872 . . . . 0.0 113.696 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 t -107.51 -51.19 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 57' ' ' ASP . 11.1 mp -95.02 -9.23 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.127 -0.358 . . . . 0.0 111.358 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.015 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.65 -30.74 78.54 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.192 -176.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -80.81 5.31 16.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.7 mt -102.28 131.68 22.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.756 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 11.2 Cg_endo -57.3 144.1 91.97 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.405 2.07 . . . . 0.0 111.586 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD23 HG22 ' A' ' 9' ' ' VAL . 90.3 mt -53.59 -39.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -80.76 -1.68 43.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.635 0.255 . . . . 0.0 111.6 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HB2' ' HG2' ' A' ' 49' ' ' PRO . 33.2 tttm -106.37 -3.46 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.345 0.593 . . . . 0.0 109.697 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.799 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -69.32 129.97 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.683 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -118.51 144.45 35.31 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.639 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 30.2 Cg_endo -63.77 -24.18 68.78 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.03 2.486 . . . . 0.0 112.589 -179.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.56 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.526 ' HB3' HD21 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.05 -30.14 63.49 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.944 178.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.799 HD11 HD11 ' A' ' 53' ' ' LEU . 62.8 mt -63.16 -46.85 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.215 0.531 . . . . 0.0 110.074 175.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.83 -36.48 84.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.174 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -66.48 -35.98 81.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.479 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.92 -46.78 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.458 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.2 m-85 -60.35 -48.91 79.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.78 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.15 -46.55 90.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.298 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.7 t -65.85 -39.18 90.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HB3' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -79.59 -21.26 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.569 0.223 . . . . 0.0 111.353 -178.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.99 -36.89 83.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.87 -22.98 66.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.964 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -72.83 -20.61 61.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.103 0.478 . . . . 0.0 110.444 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.66 49.55 0.96 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.798 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 65' ' ' LYS . 93.3 mt -99.26 139.91 34.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.7 m -72.91 145.76 86.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.293 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.56 -43.26 39.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.2 2.6 . . . . 0.0 112.99 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -32.33 73.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -73.71 -41.07 63.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.901 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.07 -36.01 76.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.825 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 80' ' ' VAL . 70.2 ttt180 -56.88 -46.62 81.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.385 176.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.61 -42.45 96.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.623 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.34 -41.47 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.335 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.458 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 47.2 t-80 -65.57 -39.13 91.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 76' ' ' ARG . 96.1 t -69.2 -53.33 26.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.217 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG21 ' HA ' ' A' ' 33' ' ' TYR . 14.9 p -62.14 -37.47 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 0.0 110.915 -176.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 100' ' ' THR . 53.9 tp -65.85 -40.38 91.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.177 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -69.01 -43.75 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.501 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -67.69 -42.0 82.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.754 -175.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.74 -43.09 31.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.786 0.327 . . . . 0.0 111.347 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 22.2 mmt -83.02 5.29 22.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -175.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 55.1 p -66.35 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -57.13 -36.08 70.25 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.783 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB1' HD23 ' A' ' 95' ' ' LEU . . . -61.88 -48.27 81.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.155 0.502 . . . . 0.0 110.715 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.82 -44.84 76.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 87' ' ' SER . 44.0 mt-10 -66.41 -30.33 70.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.681 -176.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -84.41 -4.08 58.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.28 0.562 . . . . 0.0 110.006 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.63 9.94 86.62 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.32 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 3.4 pp -85.72 -15.74 41.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.067 0.461 . . . . 0.0 109.959 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.567 HD23 ' HB1' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -113.81 138.4 50.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 170.559 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.494 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 37.3 tp -58.47 -54.47 46.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.618 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 54.3 mt-30 -138.85 -171.01 2.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.249 -174.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -103.76 95.49 7.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.618 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 3.2 Cg_exo -77.24 -23.09 10.58 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.28 2.653 . . . . 0.0 112.205 -177.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.516 HG22 ' HG ' ' A' ' 82' ' ' LEU . 15.6 p -71.85 -21.03 61.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.309 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -91.89 -26.29 18.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.95 58.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.015 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.63 115.39 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.992 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -110.75 146.46 34.45 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.68 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 32.4 Cg_exo -57.93 139.69 91.26 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.024 2.483 . . . . 0.0 112.665 -179.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 7.6 Cg_exo -73.99 20.4 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.547 2.831 . . . . 0.0 112.878 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -65.05 -28.36 69.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.633 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.7 m80 61.89 75.43 0.43 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.266 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -73.22 141.29 32.1 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.375 2.05 . . . . 0.0 111.256 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.15 -22.63 18.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.512 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -114.54 104.88 12.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.179 0.514 . . . . 0.0 109.805 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -167.47 -60.1 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.463 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 178.22 107.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -82.52 55.47 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.38 0.61 . . . . 0.0 111.093 -172.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -148.41 104.02 3.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.517 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -107.02 -42.73 4.82 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.072 175.334 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.5 ttm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.1 tt -64.46 110.52 1.0 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 112.338 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 174.88 101.76 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.95 -61.8 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.822 2.348 . . . . 0.0 111.959 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t 56.57 -161.93 0.19 Allowed 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.717 0.636 . . . . 0.0 110.731 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -116.31 65.48 0.71 Allowed 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 173.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.2 78.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.808 0.813 . . . . 0.0 111.194 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.635 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.9 p -94.17 179.7 5.23 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.929 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.814 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 21.6 t -68.38 -35.97 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.717 -178.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' GLN . 9.2 pt-20 -61.28 -41.15 96.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.873 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 47.3 tt0 -77.25 -39.85 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.673 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -63.26 -52.34 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.749 HD13 HD21 ' A' ' 37' ' ' LEU . 75.9 mt -56.97 -53.56 56.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.26 -38.65 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.735 0.303 . . . . 0.0 111.61 -174.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -72.87 -53.66 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.084 0.469 . . . . 0.0 110.177 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.554 ' O ' ' HD1' ' A' ' 20' ' ' TYR . 5.6 t-105 -60.1 -45.74 91.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.684 -174.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD12 ' HE1' ' A' ' 20' ' ' TYR . 7.9 mp -56.99 -43.51 81.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.748 0.309 . . . . 0.0 111.05 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.9 m -63.68 -27.59 69.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.27 0.557 . . . . 0.0 110.604 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -85.37 -58.7 2.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.368 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.554 ' HD1' ' O ' ' A' ' 16' ' ' TRP . 7.2 p90 -93.48 -24.49 17.99 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -170.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -91.49 3.48 54.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.338 . . . . 0.0 111.278 -174.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -125.25 79.45 66.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.818 176.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.684 ' HD2' ' HB2' ' A' ' 28' ' ' SER . 96.3 Cg_endo -79.74 164.57 23.05 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.58 2.187 . . . . 0.0 112.706 -176.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -87.22 -23.0 24.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.784 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 25' ' ' LEU . 5.5 mp -91.3 107.42 19.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.474 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.4 tpt85 67.9 106.44 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.786 0.678 . . . . 0.0 110.138 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.03 132.7 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.744 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.684 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . 28.9 t -73.62 122.41 22.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.055 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 t -108.97 -178.23 3.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.781 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 62.16 93.41 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.03 0.532 . . . . 0.0 111.222 -176.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -90.49 6.64 42.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.473 ' O ' HG22 ' A' ' 36' ' ' VAL . 15.7 m -55.56 -33.87 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.317 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -57.84 -49.83 75.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.683 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 30.9 tt0 -63.18 -46.43 87.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.107 0.48 . . . . 0.0 110.238 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -57.94 -61.57 2.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.814 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 32' ' ' SER . 33.4 m -63.16 -33.52 61.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.479 -174.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.749 HD21 HD13 ' A' ' 13' ' ' LEU . 20.0 tp -62.53 -68.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.578 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 38.2 ptt180 -63.37 -41.74 98.83 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.417 -173.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.38 -38.45 83.94 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.285 0.366 . . . . 0.0 111.734 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -100.53 -55.73 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -174.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 37' ' ' LEU . 18.8 m -99.32 -10.8 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -165.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.58 ' HB ' ' HA ' ' A' ' 38' ' ' ARG . 1.2 mp -72.71 -48.48 8.67 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.078 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.2 Cg_endo -72.16 -10.36 25.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.776 1.651 . . . . 0.0 112.763 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 p -107.12 -67.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.872 -177.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 57' ' ' ASP . 54.7 mt -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 -175.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.814 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -64.4 -22.6 67.68 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.855 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -90.45 3.61 53.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.917 0.389 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -101.57 128.58 28.69 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.316 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.494 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 51.5 Cg_exo -56.33 143.59 85.59 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.848 2.365 . . . . 0.0 112.333 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 94' ' ' LEU . 98.1 mt -57.73 -33.45 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.772 -177.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -87.74 5.44 39.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -177.607 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.494 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 84.5 tttt -115.18 -30.85 6.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.26 119.75 3.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.503 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -99.37 156.52 35.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.262 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.64 -28.22 76.73 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.074 1.849 . . . . 0.0 110.601 171.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.39 82.69 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.953 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' HD22 ' A' ' 45' ' ' LEU . 38.4 m-20 -62.11 -45.95 91.2 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.187 177.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.4 HG23 HD23 ' A' ' 82' ' ' LEU . 62.7 mt -64.46 -43.58 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.513 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.83 -41.76 98.19 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.403 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -65.17 -35.42 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.05 -49.11 76.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 43.4 m-85 -67.52 -44.88 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.736 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.25 82.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.772 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.7 m -66.96 -33.17 74.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.604 ' HB3' HD12 ' A' ' 70' ' ' LEU . 3.7 mptp? -82.32 -27.98 31.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.074 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.21 -33.42 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.56 -25.34 68.0 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.843 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 m -79.23 -14.7 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.905 0.383 . . . . 0.0 110.514 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.64 55.58 0.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.565 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 65' ' ' LYS . 40.8 mt -99.0 135.12 40.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.236 0.541 . . . . 0.0 111.745 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.6 t -67.96 144.91 97.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.974 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.62 -32.57 36.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.468 2.779 . . . . 0.0 112.963 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 p -71.24 -37.79 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.524 0.202 . . . . 0.0 111.385 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -44.82 81.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.18 0.514 . . . . 0.0 109.685 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.5 t -62.97 -34.14 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.293 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -68.23 -35.42 77.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.06 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.88 -46.52 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.461 ' HA ' HG12 ' A' ' 81' ' ' VAL . 59.9 mt -64.95 -30.45 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.593 0.711 . . . . 0.0 109.699 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.546 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 49.9 t-80 -63.17 -53.81 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.379 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.37 -41.48 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -67.04 -42.48 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.689 0.281 . . . . 0.0 111.119 -176.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.4 HD23 HG23 ' A' ' 58' ' ' ILE . 20.7 tp -71.56 -39.43 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.62 -177.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.438 ' HA ' ' CG2' ' A' ' 100' ' ' THR . 3.3 m80 -67.54 -42.17 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.296 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.66 -44.89 55.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.94 95.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.912 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.456 ' HB2' HG21 ' A' ' 100' ' ' THR . 54.1 mtt -72.41 -23.53 61.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.586 0.232 . . . . 0.0 111.398 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 58.5 m -66.51 -24.13 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.184 0.516 . . . . 0.0 110.134 176.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -69.84 -36.55 75.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.066 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.79 82.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.355 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -56.39 -52.69 63.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.714 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.07 -16.44 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.668 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -89.72 -9.36 49.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.3 5.32 79.82 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 50' ' ' LEU . 83.7 mt -84.26 -28.31 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.093 0.473 . . . . 0.0 110.263 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 97' ' ' GLN . 23.8 tp -120.18 129.15 53.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.099 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.815 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.3 pt? -84.6 -25.81 28.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 0.0 111.717 -172.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 48.8 mt-30 -133.6 179.67 6.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -113.21 93.67 27.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.133 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -77.69 -12.33 16.65 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 123.066 2.51 . . . . 0.0 110.934 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.456 HG21 ' HB2' ' A' ' 86' ' ' MET . 14.8 p -66.89 -58.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.18 -16.03 61.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.0 110.783 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.59 -14.48 56.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.651 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.19 98.06 9.7 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -119.38 129.24 25.49 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.084 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.443 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 53.5 Cg_exo -53.14 -48.66 20.92 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 122.961 2.441 . . . . 0.0 113.582 174.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 105' ' ' PRO . 27.7 Cg_endo -63.55 102.07 0.33 Allowed 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 121.778 1.652 . . . . 0.0 111.985 175.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -95.72 134.83 38.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.419 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 111' ' ' GLU . 33.3 m170 -121.26 104.59 40.55 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.855 173.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 108' ' ' HIS . 18.4 Cg_endo -60.44 -77.99 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.874 2.383 . . . . 0.0 112.657 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.09 92.3 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.398 . . . . 0.0 110.026 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 108' ' ' HIS . 8.9 tp10 -115.83 -82.15 0.62 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.676 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 42.91 80.47 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.183 0.927 . . . . 0.0 111.457 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.471 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 27.3 m170 -63.98 93.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -173.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 12.6 t-80 175.41 -10.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.841 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -69.03 -76.31 0.1 Allowed 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.398 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 m170 62.33 179.31 0.13 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.192 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.245 0.835 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.674 177.337 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.7 tt -73.95 143.76 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.216 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 64.87 79.29 0.25 Allowed Pre-proline 0 N--CA 1.464 0.264 0 O-C-N 123.658 0.599 . . . . 0.0 111.061 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -97.1 1.13 1.7 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.268 2.646 . . . . 0.0 112.297 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.22 -58.79 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.416 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.6 tttt 58.29 78.94 0.22 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.428 0.632 . . . . 0.0 110.67 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.4 mt -99.09 86.69 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.152 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.611 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 1.3 p -86.6 171.31 11.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.488 ' HA ' HD21 ' A' ' 50' ' ' LEU . 58.8 t -55.55 -54.96 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.129 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' OE2' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -69.29 -21.77 63.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.3 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HG2' ' OE2' ' A' ' 10' ' ' GLU . 88.5 mm-40 -60.9 -49.3 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.565 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.466 ' HB3' HD11 ' A' ' 50' ' ' LEU . 84.9 t90 -77.06 -43.34 34.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.04 -48.86 79.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.57 -174.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.61 -45.02 94.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.606 0.241 . . . . 0.0 110.476 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -63.23 -51.46 66.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -57.53 -48.28 79.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.12 -53.51 56.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.57 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 m -67.82 -42.12 81.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.753 0.311 . . . . 0.0 111.809 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.1 -42.61 46.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -174.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -84.63 -30.52 24.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -172.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' LYS . . . -65.97 -48.27 71.84 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.718 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 8.5 mtmp? 72.28 133.82 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.026 -178.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 7.2 Cg_exo -74.06 41.1 0.63 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.358 2.705 . . . . 0.0 111.855 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -147.21 91.6 2.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.739 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.1 mt -151.76 145.36 24.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.533 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -82.68 113.22 20.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 63.47 -154.04 0.32 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.52 0.513 . . . . 0.0 110.714 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 t 71.78 18.68 5.1 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.751 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.7 m -78.55 -36.1 45.16 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.118 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -87.89 99.21 11.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.925 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' HG3' ' HD1' ' A' ' 33' ' ' TYR . 10.8 tp10 -143.37 136.07 27.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.891 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -92.23 -26.0 18.38 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -168.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.479 ' HB2' HG21 ' A' ' 81' ' ' VAL . 3.1 p90 -64.93 -28.01 69.24 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.452 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 tt0 -60.5 -41.66 94.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -71.75 -53.29 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.3 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 33' ' ' TYR . 19.9 m -62.6 -37.22 78.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.588 -173.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.59 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.4 tp -64.05 -67.48 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.83 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.601 ' HA ' HD13 ' A' ' 42' ' ' ILE . 4.7 ptp180 -56.81 -38.25 72.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.217 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.31 -38.0 87.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.66 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -100.38 -47.85 4.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.8 p -84.8 -25.42 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -169.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.4 mp -70.55 -50.27 14.29 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.5 -9.64 26.04 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.053 1.835 . . . . 0.0 113.642 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 45' ' ' LEU . 6.3 t -102.25 -55.57 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 -179.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD22 HD21 ' A' ' 53' ' ' LEU . 4.0 pp -125.37 5.24 7.69 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.469 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.66 -15.98 71.54 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.004 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -90.78 4.21 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 110.325 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -110.4 134.55 20.79 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.184 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.611 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 53.3 Cg_exo -53.99 139.82 70.03 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.789 2.326 . . . . 0.0 112.269 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 9' ' ' VAL . 81.0 mt -56.32 -39.42 72.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.199 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -86.79 9.09 20.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.936 0.398 . . . . 0.0 111.252 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HE2' ' HG2' ' A' ' 49' ' ' PRO . 21.3 ttmm -115.19 -9.78 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.403 0.621 . . . . 0.0 109.399 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.486 HD21 HD22 ' A' ' 45' ' ' LEU . 3.2 tm? -67.74 122.13 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.761 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -101.15 139.46 20.49 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.593 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.529 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 11.2 Cg_endo -55.57 -28.69 66.28 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.3 2.666 . . . . 0.0 112.368 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.9 70.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HA ' ' HB3' ' A' ' 60' ' ' ARG . 2.2 t70 -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.63 -42.97 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.468 0.652 . . . . 0.0 109.69 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.44 -38.36 87.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.467 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.466 ' HB3' ' HA ' ' A' ' 57' ' ' ASP . 11.2 ttt180 -61.52 -38.63 88.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.248 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.6 -51.46 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.038 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 29.0 m-85 -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.19 59.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.044 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -64.61 -43.12 94.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.201 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.37 -42.79 96.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 0.0 110.143 175.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.66 -27.95 68.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.413 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -73.39 -19.19 61.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.09 20.09 5.34 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.34 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.2 tp -73.17 139.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -60.87 123.98 77.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HA ' HG12 ' A' ' 75' ' ' VAL . 53.1 Cg_exo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.165 2.577 . . . . 0.0 112.652 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 p -68.05 -40.46 82.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.101 0.476 . . . . 0.0 111.01 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 78' ' ' ILE . 97.2 mtt180 -72.74 -38.05 67.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 72' ' ' PRO . 8.3 p -71.58 -24.09 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.195 0.521 . . . . 0.0 110.198 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -68.63 -36.24 78.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.958 173.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -70.04 -42.62 72.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.943 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 75' ' ' VAL . 92.1 mt -57.38 -41.42 78.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.613 176.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.454 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 85.5 t60 -56.94 -46.57 81.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 p -78.75 -34.88 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 33' ' ' TYR . 12.4 p -77.1 -34.82 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.755 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 tt -67.93 -38.54 83.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.524 ' HA ' HG21 ' A' ' 100' ' ' THR . 53.6 t-80 -55.47 -43.17 75.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.536 175.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.56 -52.8 55.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.75 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -172.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.0 tpt -70.15 -21.18 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -171.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.5 m -67.43 -19.57 65.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 110.91 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.93 -19.4 61.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.37 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 94' ' ' LEU . . . -64.63 -32.52 74.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -73.43 -35.91 65.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.107 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 t -71.89 -15.53 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.66 8.52 84.5 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.923 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 4.2 pp -83.97 -20.82 32.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.093 0.473 . . . . 0.0 110.527 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 95' ' ' LEU . 14.4 tp -124.17 132.2 53.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.805 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.3 pt? -79.44 -25.78 41.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.769 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -134.83 177.14 8.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.486 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.415 ' HB3' ' HG2' ' A' ' 101' ' ' GLU . 19.1 t30 -108.27 116.32 56.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -80.48 -11.26 13.09 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.617 2.211 . . . . 0.0 113.083 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.524 HG21 ' HA ' ' A' ' 83' ' ' HIS . 12.4 p -76.78 -19.72 57.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 111.685 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 98' ' ' ASN . 17.0 mm-40 -72.29 -26.96 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 0.0 110.802 -176.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.529 ' HB3' ' HB2' ' A' ' 55' ' ' PRO . . . -95.41 10.31 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.034 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.4 102.9 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.478 ' HD2' ' HG3' ' A' ' 109' ' ' PRO . 44.6 mmtm -113.59 101.99 54.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.827 -176.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HB2' ' HD3' ' A' ' 106' ' ' PRO . 32.1 Cg_exo -59.57 -50.09 8.91 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.676 2.251 . . . . 0.0 113.448 170.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 105' ' ' PRO . 95.8 Cg_endo -79.0 150.26 23.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 121.584 1.523 . . . . 0.0 112.217 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -97.83 7.6 46.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.093 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.559 ' N ' ' HD2' ' A' ' 109' ' ' PRO . 74.0 t60 -63.79 -45.89 81.79 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.695 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 108' ' ' HIS . 14.8 Cg_endo -58.74 152.49 56.27 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.683 1.589 . . . . 0.0 111.5 174.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 78.9 mt 62.56 67.18 0.72 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.15 0.5 . . . . 0.0 110.189 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.41 -13.69 52.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.056 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 68.18 29.85 5.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.283 0.564 . . . . 0.0 110.677 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -106.59 -174.44 2.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -65.38 102.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.01 0.433 . . . . 0.0 111.107 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.437 ' H ' ' H ' ' A' ' 116' ' ' HIS . 85.3 t60 -171.09 1.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.062 -178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.437 ' H ' ' H ' ' A' ' 115' ' ' HIS . 74.4 t60 -96.31 116.54 29.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.079 0.466 . . . . 0.0 111.085 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 . . . . . 0 C--O 1.244 0.777 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.299 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.606 0.241 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -88.43 137.54 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.909 0.385 . . . . 0.0 110.294 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -145.32 126.56 7.6 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -48.56 -65.47 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.537 2.825 . . . . 0.0 113.161 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.572 ' HA ' ' HG3' ' A' ' 49' ' ' PRO . 59.7 p 47.16 -96.35 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.545 0.738 . . . . 0.0 112.453 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 62.63 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.386 0.674 . . . . 0.0 111.291 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 tt -96.42 75.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 122.24 1.019 . . . . 0.0 109.879 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.746 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 1.8 m -99.9 170.57 8.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.03 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.499 ' H ' HG22 ' A' ' 8' ' ' THR . 41.1 t -57.38 -45.51 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.676 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.746 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -64.17 -34.75 78.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -72.15 -42.55 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.434 ' HB2' HD11 ' A' ' 50' ' ' LEU . 24.0 t90 -64.38 -52.06 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.72 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.98 -38.61 79.52 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.164 0.29 . . . . 0.0 111.001 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -59.92 -45.09 93.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -76.03 -37.6 58.2 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.575 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -51.65 -56.99 10.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.358 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 18' ' ' THR . 4.0 pp -69.01 -35.07 76.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.365 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.451 ' N ' HD12 ' A' ' 17' ' ' LEU . 38.7 m -70.6 -36.75 73.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.945 0.403 . . . . 0.0 111.401 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -93.6 -46.63 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.572 -174.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -94.43 1.29 55.8 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -169.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -60.65 -58.31 9.01 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.935 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 15.0 tptt 54.79 81.94 0.25 Allowed Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.974 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.91 -48.2 19.54 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.708 2.272 . . . . 0.0 112.397 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 66.53 -71.62 0.09 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.829 0.705 . . . . 0.0 111.076 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.4 tp -162.31 75.15 0.44 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.577 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.8 mtm105 62.97 22.91 13.73 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.646 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -101.28 93.44 5.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.33 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -165.93 95.44 0.6 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.462 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -131.6 148.92 52.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.22 -177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 61.3 m95 58.91 59.18 2.91 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.135 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.75 9.92 41.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -59.47 -21.36 59.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.565 -173.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.46 ' HB2' HG23 ' A' ' 81' ' ' VAL . 50.5 p90 -71.97 -20.11 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.249 -0.282 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' CD ' ' HE ' ' A' ' 38' ' ' ARG . 14.7 tm-20 -71.77 -32.54 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -63.6 -56.01 19.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.765 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.93 -37.36 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.733 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.595 ' O ' HG12 ' A' ' 41' ' ' VAL . 70.7 mt -59.18 -66.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.975 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HB2' HD12 ' A' ' 42' ' ' ILE . 8.0 ptp180 -59.78 -33.94 72.36 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -176.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.72 -34.79 78.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.321 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.424 ' O ' HG22 ' A' ' 44' ' ' THR . 78.9 m80 -100.09 -45.28 5.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 37' ' ' LEU . 11.6 p -80.73 -37.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 38' ' ' ARG . 47.2 mt -66.52 -50.3 47.65 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 29.7 Cg_exo -63.34 -30.81 73.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.802 1.668 . . . . 0.0 113.847 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.566 HG23 HD13 ' A' ' 45' ' ' LEU . 7.0 t -107.26 -22.97 12.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -171.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.784 ' HG ' HD12 ' A' ' 48' ' ' ILE . 5.4 mp -127.52 23.48 6.32 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.25 3.36 58.65 Favored Glycine 0 C--N 1.329 0.151 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.838 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -106.02 8.44 32.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.446 0.641 . . . . 0.0 109.532 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.784 HD12 ' HG ' ' A' ' 45' ' ' LEU . 62.6 mt -117.68 115.44 37.25 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.055 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.726 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 23.8 Cg_exo -62.99 154.53 66.42 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.967 2.445 . . . . 0.0 111.786 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 12' ' ' TRP . 84.2 mt -57.18 -37.3 71.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.739 -176.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -88.6 3.49 50.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.338 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.726 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 50.5 tttp -105.2 -15.91 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 58' ' ' ILE . 2.9 tm? -63.57 105.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.815 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 13.8 mm100 -105.57 160.91 24.45 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.083 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.04 -29.91 67.45 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.698 2.266 . . . . 0.0 112.177 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . . . -67.56 -28.75 68.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 111.071 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.42 -30.49 42.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.132 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 99' ' ' PRO . 59.1 mt -74.33 -38.75 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.879 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.46 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 10.7 pt20 -66.84 -32.25 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.963 176.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -58.02 -42.5 85.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.37 -58.08 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.93 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.596 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.8 m-85 -57.81 -48.75 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.735 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.16 86.09 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -61.47 -35.73 78.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.981 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.864 ' HB3' HD12 ' A' ' 70' ' ' LEU . 10.0 mptt -88.23 -29.61 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.723 -177.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.19 -28.59 69.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.882 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.3 m -72.67 -12.85 61.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.5 13.39 7.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.426 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.864 HD12 ' HB3' ' A' ' 65' ' ' LYS . 42.4 mt -73.77 142.8 46.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.228 0.514 . . . . 0.0 110.525 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -83.54 149.01 56.61 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.17 -30.51 41.72 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.943 2.428 . . . . 0.0 112.764 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -70.98 -44.41 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.579 ' HG2' HD22 ' A' ' 70' ' ' LEU . 10.8 tpp180 -60.56 -45.42 93.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 -36.16 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.917 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.01 -38.0 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.906 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.61 -49.38 75.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.181 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.545 ' HA ' HG12 ' A' ' 81' ' ' VAL . 37.2 mm -53.81 -37.79 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.072 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.596 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 54.2 t-80 -62.26 -43.83 97.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 83' ' ' HIS . 61.9 t -69.47 -46.17 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.065 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 78' ' ' ILE . 8.3 p -69.99 -31.07 46.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.206 -177.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.5 tp -69.31 -33.19 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.242 0.544 . . . . 0.0 109.578 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 85.2 t60 -60.55 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.846 174.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.81 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.681 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.51 -51.76 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.457 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -33.03 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.056 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.7 m -64.46 -41.79 96.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.539 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -61.96 -41.62 98.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.121 0.486 . . . . 0.0 110.268 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 15.0 ttp180 -54.63 -54.63 38.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.121 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.53 9.24 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.872 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -117.7 7.88 12.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.213 0.53 . . . . 0.0 109.786 173.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 12.93 83.35 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.847 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.21 -17.48 23.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.411 . . . . 0.0 110.572 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 24.2 tp -142.34 125.37 16.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.375 177.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.703 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -79.57 -18.64 51.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -133.32 168.71 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.603 0.24 . . . . 0.0 111.165 -174.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.17 95.46 15.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.63 0.729 . . . . 0.0 109.706 169.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 13.0 Cg_exo -69.76 -21.2 33.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.771 2.314 . . . . 0.0 112.62 -172.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.3 p -62.64 -37.37 86.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.712 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.26 -18.98 61.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.24 -6.68 19.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.95 96.71 10.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.401 0.619 . . . . 0.0 110.781 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -130.53 129.19 22.72 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.573 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 25.5 Cg_exo -62.78 112.38 1.62 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.444 2.096 . . . . 0.0 111.657 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 1.2 Cg_endo -83.81 150.68 12.75 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.052 2.501 . . . . 0.0 112.035 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -83.4 -162.35 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.509 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 60.96 65.0 2.11 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -176.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -55.06 -66.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.75 2.967 . . . . 0.0 114.77 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 110' ' ' LEU . 3.1 mm? 62.29 90.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.839 -166.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.413 ' C ' ' H ' ' A' ' 113' ' ' HIS . 2.0 mp0 -60.71 159.78 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.165 -177.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -78.65 37.01 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.783 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' A' ' 111' ' ' GLU . 60.8 m-70 67.15 -70.18 0.12 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.351 -173.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -145.19 130.89 18.97 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -73.55 -61.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.87 -175.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.7 t60 67.2 119.34 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.956 0.785 . . . . 0.0 111.431 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 31.1 t60 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.983 177.161 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.5 pt -132.18 3.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.355 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 36.77 71.98 0.87 Allowed Pre-proline 0 N--CA 1.472 0.627 0 O-C-N 124.01 0.819 . . . . 0.0 111.83 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -85.87 -170.87 0.77 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.649 2.232 . . . . 0.0 112.408 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -62.26 128.08 34.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -84.85 152.79 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.87 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.9 mt 65.45 79.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 110.168 -175.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -122.61 -169.79 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.755 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.537 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 64.1 t -58.13 -49.01 83.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -34.49 76.1 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.67 -172.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.77 -43.06 85.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.884 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.482 ' HE3' HD22 ' A' ' 13' ' ' LEU . 21.8 t90 -65.68 -51.08 62.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.482 HD22 ' HE3' ' A' ' 12' ' ' TRP . 4.5 mm? -63.84 -45.58 88.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -58.18 -36.91 73.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.059 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -65.52 -46.52 79.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.619 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.7 t-105 -56.6 -45.5 81.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.6 mm? -65.33 -40.41 93.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.393 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.54 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . 11.9 m -80.22 -28.31 38.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.893 0.377 . . . . 0.0 111.633 -175.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -73.73 -34.91 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.126 0.489 . . . . 0.0 110.242 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.42 7.11 42.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.042 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' HA ' ' A' ' 18' ' ' THR . . . -44.01 -37.62 3.07 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -94.54 102.57 9.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 69.3 Cg_endo -92.05 -173.01 0.45 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.143 2.562 . . . . 0.0 113.473 -172.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -106.74 -146.55 0.4 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.62 -146.6 0.28 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 60.66 44.12 11.75 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.495 0.664 . . . . 0.0 109.65 -172.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' H ' ' HG2' ' A' ' 27' ' ' GLN . 20.5 pt20 -76.82 53.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.309 -174.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.2 m -93.63 -9.67 37.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.295 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -127.86 155.7 43.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.663 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -132.89 -175.91 3.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -85.38 21.1 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.387 -174.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 m -63.48 -40.09 96.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.752 0.311 . . . . 0.0 111.659 -176.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -74.11 -17.39 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.643 0.258 . . . . 0.0 111.213 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -79.07 -30.16 43.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 m -61.49 -59.5 5.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.308 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.526 HG21 ' HE2' ' A' ' 77' ' ' TYR . 29.1 m -61.41 -36.1 70.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.035 0.445 . . . . 0.0 110.859 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.8 tp -65.3 -56.95 9.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.353 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.667 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -61.06 -38.98 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.656 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.93 -41.63 91.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.008 -172.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -92.24 -48.8 6.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 42' ' ' ILE . 14.8 p -100.49 -20.5 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.667 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.5 mp -69.91 -49.85 18.69 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.844 -0.535 . . . . 0.0 112.094 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.632 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 6.6 Cg_exo -75.55 -5.0 16.04 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.073 1.849 . . . . 0.0 112.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -107.09 -67.29 0.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.822 0.344 . . . . 0.0 111.69 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.68 3.18 34.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 0.0 110.799 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.537 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -65.28 -27.42 72.4 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.057 -178.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 m -95.74 23.93 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.039 0.447 . . . . 0.0 111.112 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 9' ' ' VAL . 68.3 mt -118.69 131.87 24.11 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.56 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.47 144.83 90.97 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.625 2.217 . . . . 0.0 112.099 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -83.29 -17.58 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.499 177.492 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -99.35 -16.67 18.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.846 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -59.83 121.02 10.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -109.0 146.6 34.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.731 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.03 -27.95 86.01 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.739 2.293 . . . . 0.0 111.75 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.94 -47.23 77.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.33 -29.53 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.299 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.846 HD11 HD11 ' A' ' 53' ' ' LEU . 59.8 mt -69.16 -47.53 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.382 . . . . 0.0 110.221 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.36 -37.61 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.215 0.531 . . . . 0.0 109.79 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -59.72 -45.48 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.737 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.63 -50.87 64.78 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.94 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.421 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 35.9 m-85 -61.07 -54.39 45.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.106 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.68 99.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.825 -173.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' HB3' ' A' ' 67' ' ' GLU . 38.6 t -66.81 -44.98 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.677 -176.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -87.6 -21.44 25.35 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.136 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.74 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 65.6 tp -63.56 -31.95 73.27 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 167.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 64' ' ' SER . 30.0 tt0 -73.25 -35.66 66.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.723 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -66.07 -39.06 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.17 42.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.631 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.74 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 62.6 mt -99.13 156.22 17.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.087 0.443 . . . . 0.0 110.683 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -95.69 147.81 33.59 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.747 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.42 -36.55 88.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.849 2.366 . . . . 0.0 112.042 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.57 -37.22 84.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.645 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.8 tpt180 -73.82 -36.98 65.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.645 HG21 HD13 ' A' ' 66' ' ' LEU . 86.8 t -63.25 -41.88 94.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.718 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.526 ' HE2' HG21 ' A' ' 36' ' ' VAL . 85.7 t80 -59.85 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 74' ' ' ARG . 76.0 mt -59.33 -40.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.421 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 26.8 t-80 -62.84 -46.89 85.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.083 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.17 -34.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.42 -39.66 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.476 ' HG ' HG21 ' A' ' 100' ' ' THR . 51.9 tp -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 177.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.604 ' CD2' ' HB2' ' A' ' 101' ' ' GLU . 53.2 t-80 -59.61 -48.31 82.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.408 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.74 -50.46 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.433 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 88' ' ' GLN . . . -68.01 -32.15 72.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.677 -173.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.51 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 54.3 ttm -78.07 -19.2 54.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.38 . . . . 0.0 110.725 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 74.4 m -61.02 -38.75 87.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.324 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 85' ' ' ALA . 12.8 pt20 -65.35 -25.67 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.034 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -75.35 -37.41 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.506 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 61.1 ttp180 -65.37 -49.88 67.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.964 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 87' ' ' SER . 13.3 mm-40 -63.41 -29.82 71.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.958 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -65.65 -22.69 66.67 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.783 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.0 -15.69 51.25 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.683 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.558 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.2 pp -74.91 -18.99 60.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 0.0 110.111 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 40.0 tp -130.14 132.74 46.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.614 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.695 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.1 pt? -96.9 -28.63 14.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.731 0.3 . . . . 0.0 111.528 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.58 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 47.8 mt-30 -110.43 153.2 25.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.639 -175.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -110.23 94.62 18.85 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HG2' HD12 ' A' ' 53' ' ' LEU . 7.2 Cg_exo -74.26 -18.79 20.42 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.183 2.589 . . . . 0.0 113.169 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.476 HG21 ' HG ' ' A' ' 82' ' ' LEU . 78.8 p -63.81 -40.23 96.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 0.0 111.315 -176.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.604 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 10.8 tt0 -85.31 -24.59 27.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.437 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.3 63.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.616 0.722 . . . . 0.0 109.724 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.35 95.92 10.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.307 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 33.0 ttpt -129.89 98.0 22.67 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.492 ' O ' ' HD3' ' A' ' 107' ' ' ARG . 39.2 Cg_endo -69.19 116.57 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.126 1.884 . . . . 0.0 110.855 173.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 6.0 Cg_exo -78.78 101.66 1.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.849 2.366 . . . . 0.0 113.059 -175.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -93.34 113.62 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 171.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -130.14 79.71 72.29 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -172.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.81 -15.62 18.91 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.683 2.256 . . . . 0.0 110.594 169.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.78 107.71 4.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.692 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -88.61 130.03 35.37 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.39 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -132.18 6.45 4.2 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -91.47 10.81 26.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.836 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -98.88 142.62 30.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -63.92 123.38 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.496 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -131.61 -164.22 1.42 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.449 -170.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.867 -179.167 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.628 0.251 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.2 mm 61.83 93.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.485 0.66 . . . . 0.0 110.65 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -81.96 152.7 69.05 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.497 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.16 124.89 17.26 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.401 2.067 . . . . 0.0 111.243 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p -75.93 156.05 34.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.869 0.366 . . . . 0.0 111.202 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 33.4 ttmt -71.5 96.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.938 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.581 ' CG1' ' HB3' ' A' ' 49' ' ' PRO . 9.1 tt -124.48 -46.63 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.134 -173.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.589 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m -80.38 145.82 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.686 0.279 . . . . 0.0 110.947 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.505 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 46.9 t -70.45 -51.55 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.329 -175.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -20.97 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 111.563 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.589 ' HG2' ' HB ' ' A' ' 8' ' ' THR . 18.8 mm-40 -68.78 -54.41 16.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.969 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.451 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 65.1 p-90 -76.55 -22.64 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.411 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -45.75 91.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.206 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.48 -48.24 82.39 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -66.13 -38.81 89.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -55.03 -57.18 12.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.61 -27.92 68.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.259 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.0 m -74.56 -47.61 31.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.099 0.476 . . . . 0.0 111.09 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.36 -47.17 35.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.438 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -71.48 -21.19 61.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.139 -175.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -21.62 66.63 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.027 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 7.0 ttpm? 68.08 92.86 0.06 OUTLIER Pre-proline 0 C--O 1.232 0.138 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.986 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.33 1.12 5.12 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.19 2.593 . . . . 0.0 113.026 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -76.94 -20.19 56.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.343 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 mt -128.24 152.27 48.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.84 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -94.09 124.56 38.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.977 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 65.54 101.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.789 0.681 . . . . 0.0 111.826 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t -86.84 -72.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.797 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 p -150.65 157.66 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.852 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -98.16 86.44 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.976 0.893 . . . . 0.0 110.247 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 38.2 mt-10 -76.44 107.01 8.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.756 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 p -68.7 -38.71 80.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.122 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.591 ' HA ' HG22 ' A' ' 36' ' ' VAL . 22.7 p90 -68.16 -15.13 63.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -64.61 -42.59 95.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 110.146 174.251 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 m -75.91 -48.61 20.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.915 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 33' ' ' TYR . 18.9 m -56.38 -37.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.419 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.0 tp -61.89 -66.3 0.56 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.52 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.639 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 29.6 ptt85 -62.83 -30.63 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.631 -175.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.95 -34.96 78.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.542 0.21 . . . . 0.0 111.558 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -99.53 -41.25 7.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -174.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 37' ' ' LEU . 12.8 p -100.42 -25.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -171.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.639 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -66.07 -43.27 56.04 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.762 -0.586 . . . . 0.0 112.255 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 16.5 Cg_exo -70.61 -13.84 32.89 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 112.688 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' HB ' HD22 ' A' ' 45' ' ' LEU . 16.8 p -107.39 -68.2 0.91 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 HD12 ' A' ' 48' ' ' ILE . 2.6 mm? -103.39 -7.16 21.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.797 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -65.73 -21.4 69.17 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 113.433 -175.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -98.3 9.02 44.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 110.027 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.439 HD12 HD12 ' A' ' 45' ' ' LEU . 68.6 mt -106.28 129.39 24.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.231 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.581 ' HB3' ' CG1' ' A' ' 7' ' ' ILE . 9.8 Cg_endo -54.13 137.01 69.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 123.13 2.553 . . . . 0.0 112.715 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.23 -26.88 61.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.456 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -77.65 -17.85 57.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.3 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.518 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 62.6 tttp -115.7 -3.06 12.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 0.0 110.404 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.879 HD11 HD11 ' A' ' 58' ' ' ILE . 3.2 tm? -65.43 119.9 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.803 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -106.68 138.79 19.87 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.083 -177.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 58' ' ' ILE . 18.5 Cg_endo -59.94 -30.51 91.91 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.069 2.513 . . . . 0.0 112.482 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.14 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.78 -25.67 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.157 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.879 HD11 HD11 ' A' ' 53' ' ' LEU . 73.2 mt -69.34 -47.99 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.166 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -65.46 -37.37 86.68 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -55.5 -45.49 77.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.556 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.79 -48.68 74.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 31.1 m-85 -62.91 -45.32 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.722 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.86 87.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.057 0.456 . . . . 0.0 111.086 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -65.82 -35.58 81.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.047 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.97 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.785 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' OE1' ' HA ' ' A' ' 115' ' ' HIS . 42.6 mt-10 -66.65 -20.91 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.165 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.6 t -76.22 -42.54 45.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.382 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.86 43.84 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.03 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 mt -99.14 139.84 34.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.36 . . . . 0.0 110.508 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -83.65 146.12 49.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.41 -39.87 16.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.608 2.872 . . . . 0.0 113.457 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -64.69 -44.31 90.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.076 0.465 . . . . 0.0 111.133 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 78' ' ' ILE . 73.4 mtp180 -66.24 -38.79 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.282 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.38 -43.32 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.809 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.29 -23.59 64.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.61 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HA ' HG12 ' A' ' 80' ' ' VAL . 35.7 t80 -70.97 -46.89 61.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 74' ' ' ARG . 43.7 mm -59.36 -34.44 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.515 0.674 . . . . 0.0 110.33 174.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.59 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.7 t-80 -67.81 -42.27 81.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.071 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 77' ' ' TYR . 7.7 p -79.73 -29.47 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.537 -174.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 33' ' ' TYR . 11.1 p -73.08 -39.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.465 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.631 ' HG ' HG21 ' A' ' 100' ' ' THR . 31.8 tp -70.61 -31.61 68.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.297 0.57 . . . . 0.0 109.515 176.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.707 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -66.32 -51.57 55.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.91 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.78 69.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.116 -175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.3 mtt -74.55 -17.35 60.75 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -69.44 -35.56 75.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 109.969 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.26 -40.23 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.37 85.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 53.7 ttp85 -59.13 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.808 176.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.24 -2.56 45.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.995 0.426 . . . . 0.0 111.189 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.4 t -95.09 -3.94 47.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.097 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.03 20.4 65.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -94.17 -27.45 16.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.11 0.481 . . . . 0.0 110.103 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 20.8 tp -142.87 139.98 31.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.455 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.804 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.9 pt? -92.38 -14.94 27.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -174.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.554 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.6 mt-30 -133.69 178.07 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -120.6 96.29 48.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.773 0.797 . . . . 0.0 110.548 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.31 -19.64 19.45 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.831 2.354 . . . . 0.0 112.885 -174.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.631 HG21 ' HG ' ' A' ' 82' ' ' LEU . 5.0 p -71.28 -33.65 69.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.973 0.416 . . . . 0.0 111.399 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -82.98 -26.08 31.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -20.37 59.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.244 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.05 92.61 9.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.637 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.43 ' HG3' ' HD3' ' A' ' 106' ' ' PRO . 17.8 ptpt -131.31 153.86 81.78 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.765 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -103.18 82.89 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.322 2.681 . . . . 0.0 112.961 172.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.43 ' HD3' ' HG3' ' A' ' 104' ' ' LYS . 69.0 Cg_endo -80.9 -30.82 1.59 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.953 1.769 . . . . 0.0 110.911 174.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -146.77 -77.6 0.18 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.959 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.5 t60 49.37 94.3 0.05 OUTLIER Pre-proline 0 N--CA 1.469 0.483 0 O-C-N 124.116 0.885 . . . . 0.0 111.956 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -62.23 164.5 17.2 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.621 2.214 . . . . 0.0 111.759 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.93 94.77 8.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.308 0.575 . . . . 0.0 109.962 -176.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -123.88 176.72 6.14 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.967 -176.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.6 m170 73.81 -49.65 0.68 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.259 0.623 . . . . 0.0 111.747 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -162.18 154.53 19.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.69 0.281 . . . . 0.0 110.735 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -84.55 -35.72 22.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.481 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 58.5 t-80 -162.32 126.25 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.603 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -99.38 149.0 23.61 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 174.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.92 -179.339 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.903 0.383 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.9 pt -98.32 -166.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.459 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -95.81 122.66 58.09 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.908 0.385 . . . . 0.0 110.729 -178.688 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 21.9 Cg_exo -65.3 122.16 9.8 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.646 2.231 . . . . 0.0 111.306 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -73.29 87.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.451 0.643 . . . . 0.0 111.435 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -91.49 121.99 33.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.918 172.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.8 mm -58.14 110.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.59 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -84.53 154.95 22.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.424 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.643 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 81.2 t -60.2 -38.79 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.673 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HB3' HG23 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -74.42 -30.34 61.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.807 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.2 -47.76 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -61.57 -44.64 96.65 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.669 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -59.49 -47.25 86.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.529 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.84 -44.0 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.1 0.476 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -62.99 -46.56 87.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.102 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.511 ' HZ2' ' HB3' ' A' ' 88' ' ' GLN . 64.9 t-105 -57.87 -51.77 68.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.686 -177.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.6 pp -63.3 -27.82 69.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.31 . . . . 0.0 110.956 -177.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 m -77.81 -38.39 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.438 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.13 -35.99 41.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.318 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -99.7 5.81 45.68 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -54.32 -52.14 62.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.501 0.191 . . . . 0.0 110.82 175.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.6 tptt 56.68 79.8 0.31 Allowed Pre-proline 0 CA--C 1.534 0.354 0 O-C-N 123.875 0.734 . . . . 0.0 110.568 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -80.56 29.77 0.51 Allowed 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.758 2.972 . . . . 0.0 113.231 -173.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -89.08 -61.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.907 0.384 . . . . 0.0 110.166 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HG ' ' HD3' ' A' ' 26' ' ' ARG . 39.8 tp -121.95 118.34 28.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.472 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HD3' ' HG ' ' A' ' 25' ' ' LEU . 2.6 mpt_? 66.62 88.67 0.11 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.101 177.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -81.14 123.29 28.3 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 p -86.9 -106.26 0.06 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.659 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 30' ' ' TRP . 4.1 m 62.24 172.5 0.13 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.595 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' H ' HG22 ' A' ' 29' ' ' THR . 78.6 m95 72.73 -34.9 0.31 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 171.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' HB3' ' HD1' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -57.15 149.04 20.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.491 0.663 . . . . 0.0 112.647 -175.461 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 m -69.29 -12.02 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.746 -173.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.46 ' HB2' HG23 ' A' ' 81' ' ' VAL . 4.6 p90 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 tp10 -65.28 -44.81 86.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -66.42 -53.34 36.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.604 -176.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -61.65 -38.11 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 120.715 0.293 . . . . 0.0 111.652 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 41' ' ' VAL . 22.5 tp -61.22 -63.95 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 -177.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.708 ' HB3' HD12 ' A' ' 42' ' ' ILE . 11.3 ptp180 -63.41 -38.53 91.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.816 -176.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.63 -37.95 80.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -100.6 -51.65 3.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.7 p -101.17 -17.85 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 38' ' ' ARG . 2.1 mt -71.36 -48.19 12.93 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -174.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.663 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 4.1 Cg_exo -77.47 -6.68 16.48 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.742 1.628 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.503 HG21 ' HE3' ' A' ' 65' ' ' LYS . 20.6 p -100.93 -67.23 0.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.527 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.1 mt -93.45 3.21 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 0.0 111.011 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.643 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -69.2 -12.44 65.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.417 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -95.76 2.0 53.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.863 0.363 . . . . 0.0 110.516 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.3 mt -105.33 119.1 54.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.193 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.56 139.42 75.63 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.671 2.247 . . . . 0.0 112.074 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB3' HD21 ' A' ' 95' ' ' LEU . 86.6 mt -57.66 -33.77 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.009 -175.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.69 -1.91 52.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -107.77 -33.26 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.58 118.23 2.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.272 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -109.28 161.68 22.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.511 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.07 -31.86 91.49 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.738 2.292 . . . . 0.0 112.131 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.12 96.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.204 0.526 . . . . 0.0 110.099 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.447 HG22 ' CE2' ' A' ' 62' ' ' TYR . 52.4 mt -67.91 -43.52 85.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.004 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.363 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -57.82 -42.38 84.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.441 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.479 HD22 ' HD3' ' A' ' 65' ' ' LYS . 2.9 tm? -57.07 -54.93 41.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.967 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.512 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 21.7 m-85 -58.89 -46.6 87.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.27 -50.7 71.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.441 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.7 t -65.57 -38.71 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HE3' HG21 ' A' ' 44' ' ' THR . 3.7 mptp? -78.12 -36.69 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.44 -177.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.722 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 62.1 tp -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.75 -30.87 69.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.057 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 t -76.8 -10.03 59.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.65 51.66 0.41 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.115 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.722 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 29.3 mt -98.65 152.29 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.603 0.24 . . . . 0.0 110.379 174.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.466 ' HB3' ' HD3' ' A' ' 74' ' ' ARG . 9.3 t -90.32 136.2 28.79 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.632 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 76.7 Cg_exo -51.3 -33.45 45.56 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.089 2.526 . . . . 0.0 112.832 -176.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -60.42 -44.8 95.4 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.365 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.587 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.1 mpt_? -71.36 -39.57 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.221 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.581 HG21 HD13 ' A' ' 66' ' ' LEU . 52.4 t -56.12 -39.78 60.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 123.36 0.413 . . . . 0.0 110.381 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 68.5 mtt-85 -63.29 -45.54 90.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.515 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.94 -35.27 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.016 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 74' ' ' ARG . 73.0 mt -61.72 -34.7 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.883 0.373 . . . . 0.0 110.189 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.512 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 62.9 t-80 -67.21 -40.43 86.43 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 76' ' ' ARG . 84.5 t -64.32 -51.81 63.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 78' ' ' ILE . 10.2 p -65.81 -37.13 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.154 -177.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.24 -42.27 93.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -64.68 -42.82 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.002 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.06 -52.65 64.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.389 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 -44.05 63.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.5 tpp -80.45 -13.19 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.572 ' HA ' ' OD1' ' A' ' 98' ' ' ASN . 79.8 p -63.66 -35.08 79.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.022 0.439 . . . . 0.0 110.34 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.511 ' HB3' ' HZ2' ' A' ' 16' ' ' TRP . 85.9 mm-40 -62.98 -29.98 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.659 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -63.97 -42.86 97.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.282 0.563 . . . . 0.0 110.275 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.489 ' HD3' ' HA ' ' A' ' 97' ' ' GLN . 16.0 ttp180 -68.96 -45.68 70.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.587 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -73.3 -12.49 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.61 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.3 t -85.36 -34.4 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.74 25.73 6.74 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.751 -0.738 . . . . 0.0 113.195 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.659 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -106.19 -16.6 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.052 0.454 . . . . 0.0 110.17 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -118.53 132.69 56.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.562 176.595 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.41 -51.13 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.483 0.489 . . . . 0.0 110.68 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 11.4 pt20 -147.86 176.0 10.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.399 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.572 ' OD1' ' HA ' ' A' ' 87' ' ' SER . 3.6 m120 -102.0 110.87 63.4 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -63.07 -10.77 21.9 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.024 2.483 . . . . 0.0 112.595 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 p -66.83 -27.44 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.21 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 98' ' ' ASN . 2.4 mm-40 -75.74 -24.79 56.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.305 0.574 . . . . 0.0 110.312 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.46 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . . . -103.12 5.35 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.645 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.03 101.76 12.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.109 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -104.37 129.97 24.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -176.827 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 104' ' ' LYS . 3.4 Cg_exo -81.47 152.73 17.86 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.946 2.431 . . . . 0.0 111.402 173.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -71.49 82.22 1.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.323 2.015 . . . . 0.0 112.432 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -69.9 -36.18 75.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.159 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -136.53 82.04 34.51 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.463 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.401 ' HG2' HD22 ' A' ' 110' ' ' LEU . 72.8 Cg_endo -79.0 -13.81 13.93 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.853 2.369 . . . . 0.0 112.409 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.401 HD22 ' HG2' ' A' ' 109' ' ' PRO . 1.9 mm? -87.46 50.33 1.98 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -78.47 154.5 30.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.241 0.543 . . . . 0.0 111.71 -170.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -122.39 -33.24 3.49 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.03 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -154.29 131.04 10.77 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.61 0.243 . . . . 0.0 110.551 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -126.95 111.2 13.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.993 0.425 . . . . 0.0 110.455 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -104.43 -13.53 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -65.71 -65.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.098 0.475 . . . . 0.0 110.033 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.296 174.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.513 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 49.0 ttm . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.979 0.419 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.513 ' HB ' ' O ' ' A' ' 1' ' ' MET . 14.1 tt 168.51 157.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.778 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 30.8 mp0 -58.12 120.84 46.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.653 0.263 . . . . 0.0 110.614 176.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 6.0 Cg_exo -79.4 -4.58 13.76 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 123.153 2.569 . . . . 0.0 112.052 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -101.65 92.34 4.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.406 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -108.17 127.46 53.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 0.0 110.368 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.9 pt -73.27 167.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.501 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.0 p -74.09 169.23 17.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.652 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.886 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 57.2 t -51.76 -52.0 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.335 -173.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.11 -28.5 69.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.632 0.253 . . . . 0.0 111.316 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -75.39 -49.92 17.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.765 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 53.3 p-90 -73.29 -31.8 64.25 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -68.43 -34.94 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.136 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.11 -41.91 93.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.533 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.48 -36.93 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -55.33 -50.35 69.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.944 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 3.0 mm? -58.56 -35.94 73.14 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.759 175.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.6 m -68.85 -49.79 55.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.6 -30.83 64.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -100.31 7.02 44.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -65.32 5.76 0.36 Allowed 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -177.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 3.8 ttmp? -68.54 109.59 4.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 117.858 0.299 . . . . 0.0 110.678 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 3.2 Cg_endo -84.63 93.75 0.71 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.957 2.438 . . . . 0.0 112.053 -177.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -124.8 -10.9 7.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.402 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -146.46 132.23 18.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.216 -176.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -40.31 3.69 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.86 -67.54 0.25 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.551 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.7 p -131.64 -52.57 1.0 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 0.0 111.208 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 p -123.91 -78.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 66.98 163.67 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -171.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 72.69 -61.33 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.97 0.508 . . . . 0.0 111.261 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 m -67.75 -3.03 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -170.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -78.11 -20.78 51.51 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 6.9 tp10 -60.78 -60.97 2.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.977 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -53.7 -62.1 1.87 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.102 -174.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.1 m -56.27 -43.38 76.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.593 ' O ' HG12 ' A' ' 41' ' ' VAL . 25.0 tp -64.42 -62.37 1.64 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.668 -175.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.596 ' HA ' HD13 ' A' ' 42' ' ' ILE . 12.9 ptm85 -64.82 -37.8 88.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.26 -37.87 81.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.626 0.25 . . . . 0.0 111.577 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -97.54 -55.46 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 37' ' ' LEU . 7.4 p -87.27 -27.66 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.3 mp -66.61 -47.43 56.79 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 74.3 Cg_endo -73.49 -15.67 24.67 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 121.534 1.489 . . . . 0.0 113.148 -177.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.802 HG23 ' HG ' ' A' ' 45' ' ' LEU . 14.7 t -107.42 -42.12 4.89 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' ' 44' ' ' THR . 85.1 mt -121.95 -9.68 8.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.402 -175.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.886 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -67.69 -13.87 64.18 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.522 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -98.41 5.78 47.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.82 0.343 . . . . 0.0 110.458 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -110.4 133.18 21.18 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.07 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.23 142.99 86.81 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.822 2.348 . . . . 0.0 112.653 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.34 -27.62 67.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.022 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -79.35 1.16 26.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.51 . . . . 0.0 110.636 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -118.73 7.83 11.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -81.5 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.722 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -112.74 149.62 41.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.649 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 13.4 Cg_endo -57.53 -34.76 98.55 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.893 2.395 . . . . 0.0 112.447 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.75 70.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.07 -38.51 61.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.846 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 53' ' ' LEU . 60.9 mt -66.19 -36.7 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.077 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.08 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.818 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 60' ' ' ARG . 12.6 ttp180 -62.88 -41.93 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.563 175.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -49.15 -60.93 2.37 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.61 0.569 . . . . 0.0 109.598 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.85 -50.38 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.222 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.77 77.52 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -64.5 -36.12 83.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.201 -174.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -86.92 -20.95 26.62 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.848 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.03 -27.44 68.11 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.149 176.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.06 -31.57 52.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.274 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -79.75 -21.65 44.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.07 56.43 0.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.581 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.1 mt -77.8 130.78 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.613 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 7.3 m -68.29 138.77 91.93 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 172.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.94 -27.87 75.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.774 2.316 . . . . 0.0 111.833 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 p -63.21 -41.76 99.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.982 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.613 ' HG3' ' HB2' ' A' ' 71' ' ' SER . 33.6 mtt180 -66.01 -49.61 67.16 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.49 -44.3 84.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.776 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 80' ' ' VAL . 21.4 ttt180 -61.09 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.682 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -64.0 -45.31 89.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.168 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 74' ' ' ARG . 63.1 mt -60.59 -39.33 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.309 0.576 . . . . 0.0 109.972 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -65.5 -37.5 86.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.934 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 76' ' ' ARG . 96.8 t -73.49 -49.7 34.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.353 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.92 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.7 0.286 . . . . 0.0 111.016 -176.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.421 HD23 HG23 ' A' ' 100' ' ' THR . 30.2 tp -68.12 -37.7 81.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -54.07 -48.68 70.38 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.17 -54.58 42.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.471 0.482 . . . . 0.0 110.926 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.21 99.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.48 -28.69 68.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.525 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -64.87 -36.81 85.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.593 0.235 . . . . 0.0 110.742 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.5 -36.02 78.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -69.11 -40.38 78.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.388 0.613 . . . . 0.0 110.066 173.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 13.1 ttt-85 -57.54 -48.65 78.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.832 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.87 -8.79 57.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.332 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -84.12 -9.87 58.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.23 7.36 83.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.882 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.7 pp -95.66 -13.48 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 15.7 tp -124.33 145.23 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.962 -177.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.36 -49.33 64.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.279 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.553 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 13.7 pt20 -152.76 -171.01 3.8 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.078 -174.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -100.32 98.84 8.43 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.987 0.422 . . . . 0.0 109.909 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 16.7 Cg_exo -67.93 -15.9 44.46 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.975 2.45 . . . . 0.0 111.842 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.421 HG23 HD23 ' A' ' 82' ' ' LEU . 6.4 m -61.92 -47.22 85.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.107 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.36 -20.2 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.83 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.06 -24.36 60.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.388 0.613 . . . . 0.0 109.481 173.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.56 104.41 16.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.006 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 36.7 mtmm -109.46 127.4 27.26 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.353 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 16.8 Cg_exo -67.97 148.05 75.32 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.83 2.354 . . . . 0.0 111.911 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 25.4 Cg_exo -63.39 152.17 81.33 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.629 2.219 . . . . 0.0 111.743 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 107' ' ' ARG . 35.6 mmt-85 69.64 17.35 7.86 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.375 178.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -107.99 100.34 35.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.384 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -92.08 -150.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 123.022 2.481 . . . . 0.0 110.862 173.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.3 mt 65.29 31.03 10.9 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.482 0.658 . . . . 0.0 110.773 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -24.62 52.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.204 174.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -94.58 114.05 25.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 168.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -145.29 132.15 20.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.073 0.463 . . . . 0.0 112.07 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -91.66 83.71 5.36 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -122.21 112.15 17.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.097 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -88.67 99.68 12.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.36 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.492 -0.765 . . . . 0.0 109.23 178.502 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.683 ' HG2' ' H ' ' A' ' 2' ' ' ILE . 13.6 ttt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.683 ' H ' ' HG2' ' A' ' 1' ' ' MET . 7.4 pt -76.57 71.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.581 0.705 . . . . 0.0 112.291 -176.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -149.72 87.43 5.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.774 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -97.82 36.5 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.832 3.021 . . . . 0.0 112.741 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -30.71 68.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.588 ' HD3' HD22 ' A' ' 94' ' ' LEU . 5.1 pttp -104.21 33.41 3.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.361 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -74.44 -30.35 25.72 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.2 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -124.74 164.63 19.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.797 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.82 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 94.6 t -68.04 -45.58 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.061 0.458 . . . . 0.0 110.133 175.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HB3' HG23 ' A' ' 42' ' ' ILE . 6.5 pt-20 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.008 -174.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -72.56 -41.64 65.53 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.244 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.727 ' HE3' HD22 ' A' ' 13' ' ' LEU . 66.7 t90 -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.028 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.727 HD22 ' HE3' ' A' ' 12' ' ' TRP . 4.2 mm? -62.35 -30.64 71.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.912 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 25.6 t-20 -61.82 -53.06 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.295 0.569 . . . . 0.0 110.396 176.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.17 -29.42 66.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.711 ' HE1' ' HG2' ' A' ' 88' ' ' GLN . 87.0 t90 -57.34 -58.25 9.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.364 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 14' ' ' ASN . 4.6 pp -65.41 -23.3 66.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.685 0.279 . . . . 0.0 111.047 -178.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.1 m -64.19 -46.62 83.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.68 0.276 . . . . 0.0 111.055 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 27.6 t70 -97.05 -41.75 8.21 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -67.94 -30.39 69.69 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.92 -52.3 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 2.6 tptm 57.79 93.52 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 124.099 0.874 . . . . 0.0 110.924 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 21.4 Cg_endo -60.74 103.98 0.25 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.118 2.546 . . . . 0.0 113.508 -172.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -142.79 -80.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.758 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 mt -154.17 -4.9 0.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -87.95 -70.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.886 -172.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -119.11 77.38 1.19 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.197 0.522 . . . . 0.0 110.622 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -135.19 12.72 3.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.527 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -113.25 3.96 16.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.192 -174.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.71 83.89 1.87 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.678 0.275 . . . . 0.0 111.339 -175.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -84.5 -19.97 32.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.114 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p -54.77 -47.71 73.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.126 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -61.44 -41.32 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.097 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.6 mt-10 -62.54 -53.65 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.6 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m -54.8 -61.94 1.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.101 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -60.1 -40.55 83.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.3 tp -68.45 -61.27 1.91 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.671 ' HB2' HD12 ' A' ' 42' ' ' ILE . 5.1 ptp180 -61.86 -36.93 82.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.744 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.07 -44.2 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.682 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -91.51 -43.25 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.7 p -98.55 -27.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -169.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 38' ' ' ARG . 13.4 mt -65.87 -48.93 60.96 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.697 -0.627 . . . . 0.0 112.624 -175.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.8 Cg_endo -71.93 -14.71 29.49 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.585 1.523 . . . . 0.0 112.807 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.6 p -97.74 -64.57 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 111.562 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -115.29 -2.51 12.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.0 -175.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.82 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.44 -20.1 76.7 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.557 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -79.39 -7.42 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.285 0.564 . . . . 0.0 110.727 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.0 mt -98.7 133.04 22.84 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.621 ' HG2' ' CB ' ' A' ' 52' ' ' LYS . 10.2 Cg_endo -54.34 144.66 59.84 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.65 2.234 . . . . 0.0 112.114 174.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 9' ' ' VAL . 84.7 mt -56.31 -40.54 74.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.576 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -71.94 -21.46 61.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 111.091 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.621 ' CB ' ' HG2' ' A' ' 49' ' ' PRO . 85.6 tttt -90.71 -17.36 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.239 -178.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.93 128.63 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.432 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 10.3 mt-30 -110.46 149.13 39.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.897 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.83 -23.99 78.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.591 2.194 . . . . 0.0 111.683 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.42 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.566 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 5.3 m-20 -70.64 -38.65 73.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.053 178.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.535 HD12 ' HB2' ' A' ' 99' ' ' PRO . 58.0 mt -67.02 -39.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.326 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -51.12 69.72 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 173.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -54.65 -47.39 73.58 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.822 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 2.5 tm? -58.02 -40.54 81.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.35 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.675 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 16.0 m-30 -65.02 -46.83 79.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.771 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.08 96.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.168 0.509 . . . . 0.0 110.753 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.44 67.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.615 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.675 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 52.1 mtmt -75.99 -45.24 35.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 175.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.97 -33.71 76.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.912 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.87 -32.25 70.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.077 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.4 t -79.57 -14.03 59.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.583 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.49 31.12 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 65' ' ' LYS . 21.4 mt -83.63 134.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.72 0.295 . . . . 0.0 110.755 177.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 15.8 m -62.42 135.89 95.56 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.664 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 51.3 Cg_exo -54.07 -30.79 61.61 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.168 2.579 . . . . 0.0 112.888 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -61.9 -50.2 73.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 0.0 111.106 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -69.64 -28.42 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.643 HG11 ' HG2' ' A' ' 106' ' ' PRO . 87.4 t -60.7 -38.79 79.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.296 174.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 25.2 mtt180 -71.49 -33.23 69.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.22 -47.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.074 0.464 . . . . 0.0 110.203 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.509 ' HA ' HG12 ' A' ' 81' ' ' VAL . 75.4 mt -61.62 -29.25 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.819 176.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 76' ' ' ARG . 10.7 t-80 -64.95 -52.04 58.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.761 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.24 -36.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.8 p -65.45 -38.13 81.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.523 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -70.95 -41.16 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -58.21 -46.76 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.325 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.9 -18.05 51.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.511 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.94 -33.26 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.202 0.525 . . . . 0.0 110.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mtp -84.44 -6.39 59.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.585 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 73.7 m -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.711 ' HG2' ' HE1' ' A' ' 16' ' ' TRP . 26.0 mp0 -62.82 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.621 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -64.05 -36.16 83.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -71.31 -45.32 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.305 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 87' ' ' SER . 66.5 mm-40 -59.88 -40.04 87.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -68.97 -18.49 64.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 23.52 65.26 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.734 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.621 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -95.11 -7.46 39.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.138 0.494 . . . . 0.0 110.434 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.518 ' HG ' ' H ' ' A' ' 96' ' ' LEU . 15.2 tp -113.28 -131.87 0.32 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.2 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.518 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 63.5 tp -164.06 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.278 0.561 . . . . 0.0 110.391 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -134.5 -172.29 2.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.896 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.543 ' OD1' ' HG2' ' A' ' 101' ' ' GLU . 19.2 t-20 -112.89 98.15 44.24 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.535 ' HB2' HD12 ' A' ' 58' ' ' ILE . 6.5 Cg_exo -72.25 -13.67 28.3 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.892 -169.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 p -74.99 -32.75 61.75 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.364 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG2' ' OD1' ' A' ' 98' ' ' ASN . 5.7 mm-40 -85.51 -18.49 33.34 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.911 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.0 -12.85 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.49 152.8 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.657 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 119.03 69.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.256 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.54 152.61 81.33 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.881 2.387 . . . . 0.0 112.135 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.643 ' HG2' HG11 ' A' ' 75' ' ' VAL . 52.2 Cg_exo -53.73 155.14 14.56 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.942 2.428 . . . . 0.0 112.081 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.01 99.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.471 0.653 . . . . 0.0 111.961 -174.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.56 135.08 2.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 114.856 -1.066 . . . . 0.0 108.547 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.1 139.04 71.69 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.153 2.569 . . . . 0.0 113.248 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -108.98 87.19 2.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -111.57 103.85 12.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.221 0.534 . . . . 0.0 110.422 176.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -148.37 66.07 1.08 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 177.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -68.5 -29.95 68.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.803 -175.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -77.15 104.76 7.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -138.62 -140.76 0.15 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -50.5 -32.72 19.02 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.198 0.523 . . . . 0.0 110.072 172.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.202 -0.904 . . . . 0.0 108.643 169.878 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.681 0.277 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.2 pt -87.55 -16.98 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -100.19 131.93 23.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.896 0.379 . . . . 0.0 111.014 -174.429 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 39.4 Cg_exo -62.14 107.19 0.53 Allowed 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.569 2.179 . . . . 0.0 111.665 175.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p -98.28 -8.79 26.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.317 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -72.72 -10.9 60.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.776 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.23 100.54 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.374 0.607 . . . . 0.0 110.671 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.65 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 4.3 m -113.02 178.33 4.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.361 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.683 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.9 t -56.36 -53.91 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.652 0.263 . . . . 0.0 111.461 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.65 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -67.19 -23.12 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.541 -177.216 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -53.59 49.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -71.5 -36.92 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 109.982 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.5 -45.35 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.924 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -50.15 -59.65 3.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.186 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -55.77 -41.01 73.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.517 -177.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.7 m -66.67 -46.83 74.4 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -88.12 -39.35 14.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -173.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -77.86 -17.86 56.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.243 0.461 . . . . 0.0 112.243 -173.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.0 -46.7 33.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.5 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.523 ' O ' ' HD2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 56.86 87.33 0.14 Allowed Pre-proline 0 CA--C 1.532 0.252 0 CA-C-O 121.4 0.619 . . . . 0.0 110.153 -177.764 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.99 104.7 0.73 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.591 2.194 . . . . 0.0 113.071 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -168.33 -42.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.168 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -102.25 104.1 14.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.716 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -97.23 112.24 24.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.884 0.374 . . . . 0.0 110.711 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -160.46 127.85 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.674 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 m -84.92 120.21 26.24 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 m -98.63 10.5 40.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.425 -172.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.0 m-90 60.1 39.5 19.54 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.636 0.731 . . . . 0.0 109.262 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.642 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 1.0 OUTLIER -77.11 109.56 11.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.636 -172.352 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.55 ' O ' HG22 ' A' ' 36' ' ' VAL . 43.3 m -65.34 -34.16 77.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.765 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CD2' HG23 ' A' ' 81' ' ' VAL . 33.3 m-85 -52.4 -38.63 59.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.7 -50.85 55.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.454 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 m -68.26 -52.01 38.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.408 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 32' ' ' SER . 34.7 m -67.0 -33.56 64.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' VAL . 21.0 tp -65.14 -62.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -178.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.582 ' HG3' ' N ' ' A' ' 39' ' ' LEU . 8.4 ptp180 -53.86 -45.95 71.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.115 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.582 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 31.7 tp -64.89 -39.3 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.98 -171.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -100.59 -40.77 7.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -171.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 37' ' ' LEU . 2.8 m -90.83 -32.61 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -169.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.57 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 42.0 mt -67.25 -47.99 48.53 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -173.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 14.7 Cg_endo -57.07 -42.37 64.62 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.22 1.946 . . . . 0.0 113.931 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 t -105.38 -46.41 4.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' HG ' HD12 ' A' ' 61' ' ' LEU . 1.2 tm? -84.61 -31.27 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.204 0.526 . . . . 0.0 109.905 -174.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.683 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -74.62 14.59 4.24 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.077 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.1 m -108.32 -0.81 20.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.459 . . . . 0.0 110.228 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 69.6 mt -113.15 125.38 29.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.211 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 52.4 Cg_exo -55.78 145.3 72.77 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.005 2.47 . . . . 0.0 112.562 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.14 -29.68 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -85.43 5.78 29.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -131.48 8.91 4.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.463 0.649 . . . . 0.0 109.971 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -82.2 122.44 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.582 -175.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -124.95 161.74 47.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.724 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.42 -29.39 58.65 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.94 2.427 . . . . 0.0 113.002 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.71 80.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 60' ' ' ARG . 21.3 m-20 -69.64 -36.48 76.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.46 -34.69 63.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.3 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -60.39 -41.32 93.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 18.7 ttt85 -59.93 -39.79 86.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.79 177.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD11 HG12 ' A' ' 41' ' ' VAL . 3.2 tt -53.93 -60.53 3.21 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.486 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 23.5 m-85 -61.9 -44.44 96.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.333 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 t -63.67 -39.69 94.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 57.4 mmtt -88.7 -25.43 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.05 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.03 -18.23 63.11 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -7.05 55.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.171 0.51 . . . . 0.0 110.461 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.18 62.67 0.7 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.774 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 65' ' ' LYS . 57.6 mt -99.35 139.33 35.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.02 0.438 . . . . 0.0 111.369 176.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.4 m -74.51 156.97 86.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.923 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.04 -46.01 36.48 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.598 2.199 . . . . 0.0 112.033 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.436 ' HA ' ' HB3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -68.36 -28.82 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.463 179.345 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.574 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.4 mmt85 -65.29 -50.9 63.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.49 -40.85 85.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 109.952 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HB3' ' HA ' ' A' ' 73' ' ' THR . 44.0 ttt180 -56.19 -48.49 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.217 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.58 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 74' ' ' ARG . 61.7 mt -63.8 -35.43 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.029 176.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.486 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.2 t-80 -64.2 -38.33 90.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.093 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 76' ' ' ARG . 93.6 t -71.96 -50.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.385 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.0 p -62.73 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.184 -177.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.4 tp -68.51 -42.19 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.371 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -59.93 -38.01 81.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.542 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -70.1 -55.98 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.547 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.32 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.936 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.0 ttm -68.74 -27.97 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.352 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.3 p -69.32 -27.25 65.21 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.786 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.29 -30.98 72.01 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.87 0.367 . . . . 0.0 110.202 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -67.38 -37.99 84.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 110.033 176.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 69.9 ttt180 -66.85 -45.64 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.14 -29.36 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.784 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -68.59 -25.7 65.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.93 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.62 -0.65 55.49 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.909 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.707 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.1 pp -87.77 -11.66 47.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.365 0.602 . . . . 0.0 109.789 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 39.4 tp -136.53 132.78 35.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.81 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.4 pt? -99.46 -18.35 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.904 0.383 . . . . 0.0 111.477 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -116.79 160.44 20.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -120.35 94.84 48.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.95 -9.82 11.76 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.531 2.154 . . . . 0.0 112.635 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 m -70.64 -27.75 64.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.692 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.57 -26.84 60.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.72 2.93 43.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.792 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.48 107.65 18.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.655 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -96.49 144.82 28.5 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.159 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.496 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 52.3 Cg_exo -52.52 -46.07 35.73 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.134 2.556 . . . . 0.0 114.138 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 105' ' ' PRO . 15.0 Cg_endo -58.82 121.37 9.85 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 121.777 1.651 . . . . 0.0 112.05 174.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -78.82 93.16 4.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 110.627 -176.728 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -163.08 96.26 1.09 Allowed Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.208 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -87.12 -174.96 1.45 Allowed 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.744 2.296 . . . . 0.0 112.244 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.25 71.88 10.8 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -65.52 132.36 48.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.88 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -149.26 113.18 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.072 -177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -76.41 87.81 3.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.658 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 50.55 88.0 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.177 -174.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -74.19 132.31 42.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.793 -177.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 75.79 145.78 0.09 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.155 0.909 . . . . 0.0 112.192 177.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 . . . . . 0 C--O 1.244 0.772 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.644 174.517 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 45.7 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.823 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 86.1 t -59.21 -47.12 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.245 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -26.39 65.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.628 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.57 -42.18 95.8 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 121.074 0.464 . . . . 0.0 109.914 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.473 ' HH2' ' HB2' ' A' ' 88' ' ' GLN . 63.3 t90 -72.76 -42.81 63.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.059 177.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 9' ' ' VAL . 79.0 mt -56.77 -52.82 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -63.88 -33.37 75.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.747 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.34 -41.78 47.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.973 0.416 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 t90 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.127 177.724 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.89 -32.16 73.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.886 0.374 . . . . 0.0 110.479 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 18.5 tt0 -77.07 -50.86 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.185 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.2 m -53.98 -55.88 23.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.136 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.28 -37.36 77.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.907 0.384 . . . . 0.0 111.021 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' VAL . 28.4 tp -65.2 -65.35 0.68 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.436 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 46.5 ptt85 -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.419 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.96 -37.59 82.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.321 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -97.13 -49.05 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' LEU . 7.8 p -86.56 -28.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -169.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.537 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 26.2 mt -64.77 -53.07 46.31 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.954 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 10.9 Cg_exo -71.58 -3.9 13.97 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.916 1.744 . . . . 0.0 112.93 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.1 p -108.07 -67.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.989 0.423 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.464 HD13 HD21 ' A' ' 53' ' ' LEU . 60.8 mt -110.6 -7.79 14.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -174.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.823 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.06 -29.57 74.79 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 113.177 -175.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -86.24 15.68 5.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.186 0.517 . . . . 0.0 111.239 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 9' ' ' VAL . 66.5 mt -115.89 139.1 24.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.607 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 25.3 Cg_endo -64.35 144.2 85.15 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.007 1.805 . . . . 0.0 111.971 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 95' ' ' LEU . 52.1 mt -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.1 -4.25 49.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.788 0.328 . . . . 0.0 111.782 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.607 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 61.3 tttp -116.42 -12.57 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.455 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.493 HD11 HG13 ' A' ' 58' ' ' ILE . 3.2 tm? -68.12 119.12 12.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.98 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.62 146.9 38.26 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.931 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.43 -26.95 80.06 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.703 2.269 . . . . 0.0 111.67 174.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.28 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.734 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.38 -39.29 85.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.493 HG13 HD11 ' A' ' 53' ' ' LEU . 69.4 mt -65.46 -43.27 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -62.23 -44.54 96.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -61.7 -36.77 81.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.998 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.38 -48.35 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 79' ' ' HIS . 23.4 m-85 -61.41 -44.91 96.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.227 0.537 . . . . 0.0 110.949 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 67' ' ' GLU . . . -71.28 -49.68 40.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.017 -175.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -67.32 -34.82 78.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.416 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.906 ' HB3' HD12 ' A' ' 70' ' ' LEU . 29.9 mmtm -77.65 -23.1 49.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.281 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.78 -42.99 90.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 63' ' ' ALA . 7.0 mm-40 -63.96 -25.46 68.15 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.489 175.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -78.71 -8.27 58.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.423 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.06 22.83 7.69 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.63 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.906 HD12 ' HB3' ' A' ' 65' ' ' LYS . 42.2 mt -85.85 142.6 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.032 0.416 . . . . 0.0 110.182 175.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.4 m -71.99 138.4 82.21 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.112 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -37.95 82.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.253 2.635 . . . . 0.0 112.841 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 8.1 m -69.21 -37.85 78.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.208 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 78' ' ' ILE . 12.0 ttp85 -76.81 -33.61 57.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.45 -37.04 78.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.502 0.668 . . . . 0.0 109.241 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 73' ' ' THR . 44.5 ttm180 -61.45 -37.75 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.497 177.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -67.62 -44.57 77.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.646 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 74' ' ' ARG . 80.4 mt -57.81 -36.86 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 110.379 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.437 ' HA ' ' CE1' ' A' ' 62' ' ' TYR . 2.5 t60 -54.04 -51.45 63.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.868 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.0 m -79.63 -36.66 17.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.18 -37.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.191 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.16 -42.05 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.959 0.409 . . . . 0.0 109.928 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.457 ' HD2' ' OG1' ' A' ' 100' ' ' THR . 37.7 t-80 -57.71 -59.66 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.313 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.43 -18.12 58.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -171.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.82 56.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.63 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 49.4 ttm -69.06 -28.57 66.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.704 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 49.3 m -63.29 -22.36 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.127 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB2' ' HH2' ' A' ' 12' ' ' TRP . 14.8 mm100 -70.57 -28.48 64.92 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.728 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -75.84 -34.23 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.507 0.67 . . . . 0.0 109.736 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.191 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.55 -3.82 45.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.146 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -91.5 -7.29 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.053 0.454 . . . . 0.0 109.828 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.79 7.88 88.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.104 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.728 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.5 pp -100.22 -10.68 21.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 110.242 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 50' ' ' LEU . 47.6 tp -123.48 129.15 50.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.193 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.804 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.2 pt? -79.23 -36.58 39.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -150.46 147.62 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -78.85 114.35 43.22 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.63 ' HD2' ' SD ' ' A' ' 86' ' ' MET . 24.3 Cg_exo -63.94 -16.52 55.34 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.796 2.33 . . . . 0.0 111.847 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.457 ' OG1' ' HD2' ' A' ' 83' ' ' HIS . 34.4 p -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.5 -19.32 49.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.894 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.2 -0.13 30.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.723 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.5 174.58 8.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.432 ' NZ ' ' HB3' ' A' ' 104' ' ' LYS . 8.1 mtpm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.888 0.375 . . . . 0.0 110.221 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 48' ' ' ILE . 59.8 t -50.01 -48.87 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.876 0.369 . . . . 0.0 111.602 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -59.0 -42.9 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.477 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -77.05 -36.45 55.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -63.71 -51.16 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.01 -49.89 70.4 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.932 0.396 . . . . 0.0 110.497 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -56.59 -49.04 76.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.603 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -70.16 -49.79 46.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.772 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.11 -174.655 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 36' ' ' VAL . 37.1 p . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.49 0.185 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HA ' HG21 ' A' ' 81' ' ' VAL . 21.5 m-85 -48.33 -53.38 17.63 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 124.05 0.844 . . . . 0.0 110.393 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 24.7 tt0 -67.31 -49.62 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.958 -176.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.1 m -52.46 -55.39 22.23 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.041 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 32' ' ' SER . 26.9 m -64.73 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.606 ' O ' HG12 ' A' ' 41' ' ' VAL . 76.8 mt -69.33 -64.27 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.546 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 45.6 ptt85 -56.98 -40.79 77.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.8 -175.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.75 -50.11 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.932 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -101.37 -39.81 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -171.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 37' ' ' LEU . 4.0 p -93.68 -22.32 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.056 -171.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.632 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -71.67 -44.46 12.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 52.2 Cg_exo -55.88 -34.08 90.55 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.884 1.723 . . . . 0.0 113.658 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.419 HG23 HD13 ' A' ' 45' ' ' LEU . 5.2 t -108.05 -43.23 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.658 ' HG ' HD12 ' A' ' 48' ' ' ILE . 10.6 mp -106.17 -6.24 18.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.481 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.5 -21.54 77.61 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.113 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 p -88.79 5.7 42.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.658 HD12 ' HG ' ' A' ' 45' ' ' LEU . 64.1 mt -96.28 131.62 28.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.405 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 52' ' ' LYS . 30.9 Cg_endo -66.18 139.58 55.93 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.456 2.104 . . . . 0.0 111.294 174.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 9' ' ' VAL . 96.0 mt -54.2 -33.25 57.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -176.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.01 2.61 45.69 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 4.0 ttpt -107.93 -17.77 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.741 HD11 HD11 ' A' ' 58' ' ' ILE . 3.0 tm? -51.5 111.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.319 -172.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 97.3 mt-30 -107.62 153.93 41.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.266 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.18 -27.89 85.81 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.476 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.6 93.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.388 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -63.09 -41.52 99.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.841 0.353 . . . . 0.0 110.246 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.741 HD11 HD11 ' A' ' 53' ' ' LEU . 19.3 mt -65.29 -48.26 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.82 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.38 -44.4 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.802 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -63.57 -37.26 86.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.03 -51.03 67.57 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.522 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 58' ' ' ILE . 25.1 m-85 -62.78 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.339 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -56.26 23.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.66 0.6 . . . . 0.0 111.451 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m -69.98 -26.25 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.078 0.466 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.612 ' HG2' HD12 ' A' ' 70' ' ' LEU . 23.2 ttpp -74.81 -24.13 58.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.183 0.516 . . . . 0.0 110.168 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.54 -39.46 64.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.27 -15.23 63.04 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.969 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.8 t -74.1 -17.64 60.92 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.21 35.81 3.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.838 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.612 HD12 ' HG2' ' A' ' 65' ' ' LYS . 14.0 mt -99.87 138.0 37.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.743 0.271 . . . . 0.0 111.04 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 75' ' ' VAL . 46.9 t -63.79 136.92 96.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.2 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.03 -25.47 44.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.408 2.739 . . . . 0.0 112.626 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -62.58 -48.45 79.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -74.74 -27.35 60.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.852 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 71' ' ' SER . 97.1 t -63.46 -41.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.978 175.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -67.11 -38.26 85.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.362 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.89 -47.47 80.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.836 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.59 ' HA ' HG12 ' A' ' 81' ' ' VAL . 80.7 mt -59.7 -34.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.552 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 27.5 t-80 -65.07 -40.33 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.065 0.46 . . . . 0.0 110.363 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.95 -46.61 51.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.6 p -66.65 -39.95 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.097 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.37 -40.58 97.63 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 87' ' ' SER . 33.6 t60 -55.95 -52.07 65.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.584 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.45 -46.47 82.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.31 81.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.409 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.8 ttm -71.42 -26.7 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 83' ' ' HIS . 23.0 t -57.84 -30.62 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 177.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -64.2 -39.7 94.54 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.5 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 25.8 ttp-105 -65.5 -49.38 69.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.054 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -79.22 7.98 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.437 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -111.68 2.82 17.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.44 174.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.13 13.33 82.16 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.288 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.21 -27.96 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 34.0 tp -131.73 122.13 25.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.054 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.798 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.4 pt? -80.41 -10.69 59.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.976 -174.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -132.47 170.74 14.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -173.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -120.22 95.21 49.05 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.529 ' HG2' HD12 ' A' ' 53' ' ' LEU . 2.0 Cg_endo -83.74 -12.25 8.75 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.248 2.632 . . . . 0.0 112.975 -174.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -37.76 88.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.331 -176.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -33.13 61.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.92 -23.62 64.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.212 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.41 93.65 9.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.842 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.844 -178.53 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 31.2 p . . . . . 0 C--O 1.237 0.447 0 CA-C-O 120.747 0.308 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.581 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 98.0 t -61.52 -48.03 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.451 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.3 -36.04 76.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -67.6 -45.37 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.594 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -71.36 -47.08 58.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.96 -52.18 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.15 -43.57 98.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.898 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.1 ttm-85 -64.51 -43.39 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.613 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.013 178.766 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.941 0.4 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.04 -47.51 79.92 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.14 -42.63 81.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.3 m -72.24 -47.41 50.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.388 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.478 ' O ' ' HD2' ' A' ' 40' ' ' HIS . 27.8 m -65.95 -39.63 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.269 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 41' ' ' VAL . 93.4 mt -60.55 -54.75 41.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -47.9 -55.29 10.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.136 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 tp -61.54 -36.22 79.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.384 -170.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.544 ' CE1' ' HB ' ' A' ' 41' ' ' VAL . 4.9 p80 -98.3 -40.43 8.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -169.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.0 p -102.4 -30.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.97 -55.49 40.68 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.988 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.71 -11.14 29.14 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.888 1.726 . . . . 0.0 113.093 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -101.69 -66.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 111.764 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -112.23 4.91 18.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -171.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.581 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -61.91 -37.45 94.38 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.142 -176.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -79.77 -0.41 34.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.176 0.512 . . . . 0.0 110.648 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 9' ' ' VAL . 50.8 mt -92.61 134.67 27.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.694 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.687 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.8 Cg_exo -63.3 143.75 89.87 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.711 2.274 . . . . 0.0 112.095 176.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.22 -28.12 62.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.892 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 32.8 mmtp -76.47 -16.75 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -103.97 -3.93 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.556 . . . . 0.0 110.145 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -74.23 102.1 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.656 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -101.67 161.08 24.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.471 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.678 ' HG3' ' HA ' ' A' ' 99' ' ' PRO . 32.7 Cg_exo -60.89 -30.01 89.21 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.411 2.074 . . . . 0.0 111.376 173.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.41 87.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.15 -40.43 90.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 110.107 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.634 HD11 HD11 ' A' ' 53' ' ' LEU . 62.1 mt -66.59 -42.68 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.916 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.15 -37.84 88.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.975 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 60' ' ' ARG . 32.0 ttt180 -63.44 -42.13 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.272 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 61' ' ' LEU . 5.6 tt -48.05 -59.31 3.47 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.881 0.738 . . . . 0.0 109.904 176.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 15.2 m-85 -57.72 -54.43 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.44 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.471 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.2 m -65.45 -49.86 67.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.567 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HG2' ' HG ' ' A' ' 70' ' ' LEU . 77.6 tttt -79.06 -22.76 44.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.035 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 52.5 tp -59.22 -45.66 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.94 -23.57 67.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.164 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.7 t -76.61 -47.61 21.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.981 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.46 53.98 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.267 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.765 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 36.4 mt -99.02 133.51 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.595 -0.356 . . . . 0.0 110.338 174.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 m -68.05 143.33 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.01 -35.67 72.78 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.713 2.275 . . . . 0.0 112.256 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.4 p -66.69 -41.72 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.984 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -63.41 -37.73 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.652 HG21 HD13 ' A' ' 66' ' ' LEU . 59.3 t -59.7 -41.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 123.369 0.418 . . . . 0.0 110.275 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -72.94 -38.3 66.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HA ' HG12 ' A' ' 80' ' ' VAL . 41.6 t80 -64.91 -50.76 65.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.3 mt -57.93 -34.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.622 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.491 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 36.2 t-80 -70.01 -49.07 55.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.267 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 77' ' ' TYR . 11.3 p -69.86 -37.61 73.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.387 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.05 -33.59 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.303 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.478 HD22 ' HE1' ' A' ' 40' ' ' HIS . 35.4 tp -72.21 -39.23 68.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -64.4 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.69 -50.85 9.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.028 0.442 . . . . 0.0 111.004 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.64 15.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -171.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.6 tpt -75.5 -29.3 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.596 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -67.79 -17.1 64.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 110.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.82 -20.91 64.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.58 75.68 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 90' ' ' ARG . 25.1 ttt180 -66.91 -43.86 82.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.895 175.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.35 -18.22 60.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -73.76 -12.12 60.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.575 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.11 -5.28 57.65 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.655 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.428 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 3.6 mm? -75.76 -48.3 22.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.21 149.49 35.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.637 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.1 pt? -100.94 -30.52 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.572 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 77.8 mt-30 -103.01 167.9 9.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.321 . . . . 0.0 110.938 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -115.57 94.72 41.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.907 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.678 ' HA ' ' HG3' ' A' ' 55' ' ' PRO . 7.1 Cg_exo -74.31 -22.71 16.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.913 2.409 . . . . 0.0 112.572 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.9 p -69.85 -35.18 74.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.276 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.53 -35.44 60.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.27 8.26 31.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.884 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.54 90.41 8.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 109.468 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.332 -176.759 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.579 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 32.8 p . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.776 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 48.8 t -56.31 -45.74 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.179 0.299 . . . . 0.0 111.405 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HB3' HG13 ' A' ' 42' ' ' ILE . 13.5 pt-20 -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -65.81 -52.24 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.446 -174.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.619 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 69.0 p-90 -77.37 -35.43 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.059 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.05 -39.2 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.471 0.177 . . . . 0.0 111.413 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -59.07 -46.74 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 0.0 110.481 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -80.87 -28.07 36.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.532 ' HZ2' ' HG2' ' A' ' 88' ' ' GLN . 89.6 t90 . . . . . 0 CA--C 1.518 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.7 m . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -44.28 -60.86 1.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.335 1.022 . . . . 0.0 113.115 -169.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -72.26 -37.36 69.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.606 0.241 . . . . 0.0 111.553 -173.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 m -66.6 -47.39 72.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.712 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 32' ' ' SER . 27.0 m -65.7 -39.71 85.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.44 -56.34 10.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.2 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.535 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 20.7 tpt180 -47.5 -65.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.131 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.7 tp -52.93 -42.85 65.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.915 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -99.58 -56.33 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 20.9 m -96.37 -14.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -168.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.3 mp -68.83 -48.07 30.71 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 118.624 0.647 . . . . 0.0 112.301 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 8.1 Cg_exo -73.41 -9.59 23.14 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.861 1.707 . . . . 0.0 112.54 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 41' ' ' VAL . 10.9 p -107.35 -67.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.845 0.355 . . . . 0.0 111.735 -177.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -97.62 -29.24 13.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.776 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -66.69 -21.27 70.89 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.797 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -84.46 -3.89 58.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.056 0.455 . . . . 0.0 110.465 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -103.95 133.44 20.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.107 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.82 145.45 96.48 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.321 2.014 . . . . 0.0 111.509 173.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.515 HD22 HD21 ' A' ' 95' ' ' LEU . 94.6 mt -64.45 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.518 . . . . 0.0 111.338 -175.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -75.39 -1.57 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.276 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -124.36 -14.69 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -64.38 122.6 17.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -106.2 154.55 39.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' ILE . 33.6 Cg_endo -65.44 -27.8 54.46 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.389 2.059 . . . . 0.0 111.222 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.98 99.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.77 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.336 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 53' ' ' LEU . 79.3 mt -59.28 -56.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.791 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -65.26 -34.12 77.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.276 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -62.98 -42.85 99.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.715 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -49.89 70.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 24.3 m-85 -62.67 -47.07 85.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.968 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.0 89.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.891 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -65.67 -40.81 92.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.43 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 38.7 tptt -85.01 -18.95 32.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.984 0.421 . . . . 0.0 110.489 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.763 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 40.3 tp -66.6 -32.13 73.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.715 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.1 -40.94 91.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.133 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.84 -50.66 27.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.76 40.13 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 119.59 -1.29 . . . . 0.0 113.639 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.763 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 40.2 mt -100.37 164.84 11.75 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.474 -0.427 . . . . 0.0 109.992 172.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -108.2 151.57 41.47 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.3 -23.93 48.61 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.025 2.483 . . . . 0.0 112.965 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.4 p -81.2 -39.34 25.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.634 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.44 -35.94 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.844 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.59 -22.04 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.02 0.438 . . . . 0.0 110.205 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 80' ' ' VAL . 55.5 ttt85 -69.37 -44.23 71.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.32 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -57.71 -48.61 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.673 0.273 . . . . 0.0 110.498 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.06 -36.12 60.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.33 0.586 . . . . 0.0 110.121 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.59 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 1.9 t-80 -66.85 -39.34 87.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.535 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 76' ' ' ARG . 60.0 t -72.97 -48.46 44.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.02 -177.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -38.2 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.2 tp -71.16 -32.72 69.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.257 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.609 ' HA ' ' HB ' ' A' ' 100' ' ' THR . 52.4 t60 -55.68 -50.64 69.74 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -71.06 -40.31 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.42 -52.62 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.584 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.9 mtt -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.302 . . . . 0.0 111.35 -178.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -66.31 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.879 0.371 . . . . 0.0 110.384 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.532 ' HG2' ' HZ2' ' A' ' 16' ' ' TRP . 27.2 tp60 -75.02 -29.29 60.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.068 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.238 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.89 -44.16 86.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.436 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.74 -42.08 96.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.753 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.0 t -67.0 -22.66 65.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.768 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.75 6.45 52.47 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.03 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.18 -36.04 71.81 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -113.91 115.06 27.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.404 172.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -70.37 -24.52 62.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.151 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.481 ' O ' ' HB3' ' A' ' 95' ' ' LEU . 11.0 pt20 -127.49 -179.27 4.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.417 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 101' ' ' GLU . 29.7 p-10 -114.52 95.36 39.81 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.628 0.728 . . . . 0.0 110.982 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.19 -30.81 6.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.755 2.303 . . . . 0.0 112.879 -175.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.609 ' HB ' ' HA ' ' A' ' 83' ' ' HIS . 12.9 p -73.39 -19.55 60.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.147 0.499 . . . . 0.0 111.175 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.404 ' HB3' ' ND2' ' A' ' 98' ' ' ASN . 3.8 tm-20 -95.45 -24.21 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.559 0.695 . . . . 0.0 109.24 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 55' ' ' PRO . . . -71.87 -12.67 61.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.5 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.9 176.33 7.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt . . . . . 0 N--CA 1.467 0.419 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.242 -171.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.414 ' OG1' ' HG2' ' A' ' 10' ' ' GLU . 14.7 p . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.539 0.209 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.484 HG12 HD23 ' A' ' 13' ' ' LEU . 57.3 t -61.55 -32.86 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.26 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.414 ' HG2' ' OG1' ' A' ' 8' ' ' THR . 13.1 pt-20 -61.07 -22.43 64.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.77 -53.69 54.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.457 ' HE1' HG13 ' A' ' 9' ' ' VAL . 19.7 p-90 -76.29 -24.89 54.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.726 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.484 HD23 HG12 ' A' ' 9' ' ' VAL . 1.7 mm? -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.782 0.325 . . . . 0.0 110.195 172.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.71 -48.02 83.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.709 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -63.95 -48.48 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.65 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.7 t90 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.096 -178.257 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 36' ' ' VAL . 16.6 m . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -64.66 -30.85 71.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.294 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -42.24 20.4 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.92 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.7 m -58.52 -57.4 13.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.504 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' A' ' 77' ' ' TYR . 30.9 m -63.54 -31.03 51.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.722 0.296 . . . . 0.0 111.136 -176.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.615 ' O ' HG12 ' A' ' 41' ' ' VAL . 29.6 tp -64.31 -64.14 0.96 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.39 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.643 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 24.1 ptt85 -72.42 -36.25 68.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.84 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.7 -38.02 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.586 0.231 . . . . 0.0 111.431 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -88.49 -55.22 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.9 p -93.79 -27.06 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -168.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.643 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.4 mp -66.55 -43.92 53.43 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 19.5 Cg_endo -60.51 -25.78 81.37 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.782 1.654 . . . . 0.0 113.137 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 t -108.18 -58.35 2.0 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.541 ' HB2' HG22 ' A' ' 41' ' ' VAL . 11.1 mp -88.43 -6.63 57.54 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 111.335 -176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.45 -16.03 71.12 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.214 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -95.97 9.06 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 110.389 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.456 HD12 ' HG ' ' A' ' 45' ' ' LEU . 67.1 mt -111.7 121.26 40.35 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.856 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.85 134.58 65.41 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.545 2.163 . . . . 0.0 111.887 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.408 HD11 ' NE1' ' A' ' 12' ' ' TRP . 95.3 mt -55.01 -29.53 57.54 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -176.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 94' ' ' LEU . 12.4 mmmm -76.08 -16.13 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -109.53 -1.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.235 0.54 . . . . 0.0 109.806 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.508 HD21 HD23 ' A' ' 45' ' ' LEU . 3.3 tm? -69.77 116.75 10.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.521 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -106.73 152.52 40.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.18 -34.39 87.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.755 2.303 . . . . 0.0 112.12 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.63 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.174 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -70.63 -38.29 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.482 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 99' ' ' PRO . 64.1 mt -64.76 -42.69 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 0.0 110.052 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.87 -41.45 99.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.0 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 60' ' ' ARG . 23.0 ttt180 -63.12 -39.28 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.716 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.499 HD22 ' HD3' ' A' ' 65' ' ' LYS . 3.3 tm? -53.1 -46.63 68.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.939 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.466 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 26.1 m-85 -64.7 -49.57 70.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.402 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.67 85.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.89 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.4 m -64.25 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.515 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HD3' HD22 ' A' ' 61' ' ' LEU . 5.0 mptp? -80.92 -29.56 35.51 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.013 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.85 -36.96 80.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 109.884 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.25 -29.84 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.434 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -75.65 -10.57 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.041 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.9 48.33 1.09 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.438 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD23 HG22 ' A' ' 75' ' ' VAL . 34.9 tp -96.29 139.89 31.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.447 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 37.0 m -73.71 133.96 79.17 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.802 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 71' ' ' SER . 50.5 Cg_exo -54.58 -37.39 90.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.295 2.664 . . . . 0.0 112.931 -177.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -65.09 -40.2 94.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.219 0.533 . . . . 0.0 110.491 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.48 ' O ' HG13 ' A' ' 78' ' ' ILE . 18.2 ttm180 -66.56 -34.47 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.815 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.431 HG22 HD23 ' A' ' 70' ' ' LEU . 99.7 t -60.06 -41.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.19 175.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.4 -41.66 98.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.546 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.444 ' CE2' HG21 ' A' ' 36' ' ' VAL . 58.6 t80 -62.84 -47.4 83.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.968 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 74' ' ' ARG . 69.7 mt -57.56 -35.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.002 0.429 . . . . 0.0 110.518 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.466 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 51.0 t-80 -66.23 -40.8 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.242 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.96 -36.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.483 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.54 -35.45 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -69.72 -35.32 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.946 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.38 -40.16 85.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.972 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.4 -58.28 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.04 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 48.4 mtt -83.49 -4.71 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.032 -177.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -66.9 -45.18 78.75 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -71.2 -36.53 71.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.7 91.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.993 0.425 . . . . 0.0 110.417 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 95' ' ' LEU . 45.8 ttp180 -57.8 -55.79 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.403 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.4 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 32.0 mt-10 -79.26 9.73 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.398 -175.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.556 ' HB3' HD23 ' A' ' 94' ' ' LEU . 6.8 t -100.69 -9.33 21.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.38 0.26 56.91 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.457 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 92' ' ' SER . 4.2 mm? -80.11 -43.09 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.888 0.375 . . . . 0.0 110.455 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 90' ' ' ARG . 3.7 mm? -111.28 120.74 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.511 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.582 ' HG ' ' HG2' ' A' ' 97' ' ' GLN . 6.6 tp -69.05 -48.88 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.264 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.582 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 75.0 mm-40 -121.23 163.82 17.93 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.026 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.479 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 43.2 t-20 -87.95 110.01 32.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.506 ' HB2' HD12 ' A' ' 58' ' ' ILE . 5.8 Cg_exo -77.28 -15.8 15.79 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 112.81 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -70.12 -33.38 71.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.648 0.261 . . . . 0.0 111.27 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -76.82 -26.68 54.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.147 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.77 -10.03 57.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.249 0.547 . . . . 0.0 110.816 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.51 93.52 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.5 tttm . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.688 -179.218 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 24.0 p . . . . . 0 C--O 1.235 0.321 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 48' ' ' ILE . 64.6 t -54.27 -49.69 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.347 0.404 . . . . 0.0 111.818 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.97 -43.75 98.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.375 . . . . 0.0 111.301 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -71.46 -36.83 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -73.33 -50.09 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.56 -46.24 90.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.32 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.61 -44.82 85.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.479 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.2 -42.4 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.951 0.405 . . . . 0.0 110.386 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.5 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.098 -176.72 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.514 ' HB2' ' OH ' ' A' ' 77' ' ' TYR . 5.3 m . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.414 0.15 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.475 ' CD2' HG23 ' A' ' 81' ' ' VAL . 66.5 m-85 -54.78 -40.0 68.99 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -55.84 -38.84 70.59 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.57 -177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -90.22 -56.62 3.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG23 HG21 ' A' ' 81' ' ' VAL . 27.6 m -59.94 -34.38 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -171.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 41' ' ' VAL . 36.9 tp -60.35 -64.81 0.82 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.115 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.693 ' HB2' HD12 ' A' ' 42' ' ' ILE . 17.4 ptt-85 -66.23 -27.66 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 -174.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.5 -37.32 79.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.443 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.416 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 11.5 p80 -92.72 -33.96 14.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -172.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.2 p -102.22 -35.55 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -171.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.693 HD12 ' HB2' ' A' ' 38' ' ' ARG . 28.8 mt -63.21 -53.5 53.41 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.53 -3.43 13.85 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 121.625 1.55 . . . . 0.0 113.208 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.1 p -107.54 -63.35 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 111.67 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.48 18.65 21.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -58.87 -32.8 71.04 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.023 -175.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 t -84.99 8.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.182 0.491 . . . . 0.0 110.899 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 9' ' ' VAL . 43.7 mm -96.35 129.99 32.01 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.201 177.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.575 ' HG2' ' HD2' ' A' ' 52' ' ' LYS . 21.5 Cg_exo -65.97 147.45 84.7 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 172.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.17 -31.18 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.845 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.22 5.3 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HD2' ' HG2' ' A' ' 49' ' ' PRO . 46.9 mttp -116.69 10.22 14.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 109.993 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 58' ' ' ILE . 3.0 tm? -79.84 102.94 9.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.618 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -100.7 151.27 37.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.855 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.1 -31.09 89.29 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.917 2.411 . . . . 0.0 112.438 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.62 95.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.062 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.22 -33.59 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 53' ' ' LEU . 46.2 mt -68.12 -47.36 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.222 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.57 -40.75 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.04 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -58.15 -46.42 85.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.301 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 3.0 tm? -58.49 -43.81 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.56 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 21.4 m-30 -62.33 -43.49 98.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.418 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -44.72 65.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.57 0.544 . . . . 0.0 111.509 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.2 m -61.66 -45.6 93.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.996 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 19.5 pttp -72.25 -23.37 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.913 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.59 -39.82 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.29 -33.31 63.15 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.228 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -68.21 -7.81 33.56 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.663 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.04 6.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.451 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.8 mt -78.75 159.26 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.5 m -101.51 152.87 38.11 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.235 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HA ' HG22 ' A' ' 75' ' ' VAL . 72.4 Cg_exo -50.49 -39.74 54.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.174 2.582 . . . . 0.0 113.125 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.5 p -58.55 -44.72 89.74 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.278 0.561 . . . . 0.0 111.01 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 78' ' ' ILE . 23.7 mmt180 -67.96 -44.94 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.711 -177.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 72' ' ' PRO . 5.9 m -71.05 -23.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.993 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -68.56 -44.07 75.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.514 ' OH ' ' HB2' ' A' ' 32' ' ' SER . 63.8 t80 -65.37 -38.62 90.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.33 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.573 HG21 ' HE2' ' A' ' 65' ' ' LYS . 77.3 mt -61.81 -31.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.987 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.424 ' HD2' ' OH ' ' A' ' 62' ' ' TYR . 12.0 t-160 -68.78 -42.39 77.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.708 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 77' ' ' TYR . 31.9 m -78.05 -36.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.674 -176.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.3 p -65.73 -35.57 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.879 0.371 . . . . 0.0 110.638 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.97 -47.48 71.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.074 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.81 -38.56 88.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.16 -60.01 4.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.245 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.52 -27.92 58.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.947 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.4 ttm -69.55 -21.08 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 68.9 m -65.78 -33.2 75.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -65.36 -35.52 81.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.721 0.296 . . . . 0.0 110.878 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.63 80.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -64.26 -49.86 70.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.484 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 87' ' ' SER . 41.3 mt-10 -58.98 -41.24 87.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 m -68.08 -9.49 46.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.68 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 -2.81 78.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.597 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.66 -40.08 84.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.526 0.679 . . . . 0.0 109.465 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.403 HD21 ' CG ' ' A' ' 99' ' ' PRO . 17.1 tp -116.9 137.86 51.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.403 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.791 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -89.4 -17.71 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 11.9 pt20 -146.08 -179.81 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.349 . . . . 0.0 111.371 -173.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 101' ' ' GLU . 19.3 t30 -105.79 95.45 10.58 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.773 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 7.2 Cg_exo -73.12 -17.29 24.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.963 2.442 . . . . 0.0 112.015 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.56 -14.1 61.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.541 ' HB2' ' ND2' ' A' ' 98' ' ' ASN . 10.7 tp10 -79.09 -39.47 33.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 -5.35 59.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.74 95.2 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.905 175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.426 -175.84 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.713 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 42.8 p . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.425 0.155 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.719 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 59.2 t -61.94 -35.44 68.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.991 0.425 . . . . 0.0 110.247 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.451 ' HG2' HG23 ' A' ' 42' ' ' ILE . 5.9 mt-10 -55.33 -49.77 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.409 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.49 -28.98 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.321 -174.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -66.71 -45.28 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.04 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.37 -31.67 69.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.09 -46.97 82.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.693 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -71.47 -37.95 71.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.309 0.576 . . . . 0.0 109.918 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.3 t90 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.714 -174.019 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 120.759 0.314 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.728 ' HA ' HG22 ' A' ' 36' ' ' VAL . 31.2 p90 -76.79 -28.15 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -60.02 -27.25 66.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.292 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 m -91.73 -56.02 3.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.006 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 33' ' ' TYR . 28.9 m -63.63 -40.88 90.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -170.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.565 ' O ' HG12 ' A' ' 41' ' ' VAL . 74.0 mt -65.4 -59.97 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.079 -175.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.556 ' HB2' HD12 ' A' ' 42' ' ' ILE . 31.8 ptt180 -60.13 -35.88 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.117 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.46 -35.46 81.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.654 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -100.55 -46.02 5.34 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -173.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.6 p -100.43 -20.09 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -167.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD12 ' HB2' ' A' ' 38' ' ' ARG . 8.2 mt -71.04 -50.88 11.27 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.335 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 19.8 Cg_exo -66.97 -19.2 52.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.832 1.688 . . . . 0.0 112.254 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -97.1 -67.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.066 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 53' ' ' LEU . 68.1 mt -106.01 3.77 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.229 -173.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.719 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -59.94 -30.43 69.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.339 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 m -81.35 -1.22 44.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.789 0.328 . . . . 0.0 111.58 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.505 ' O ' HG23 ' A' ' 9' ' ' VAL . 42.1 mm -95.73 128.16 38.77 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.58 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.666 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 34.6 Cg_exo -57.63 140.37 93.23 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.626 2.217 . . . . 0.0 111.504 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -56.94 -40.81 77.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.43 -2.71 43.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 111.341 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 57.6 tttp -103.46 -32.35 9.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.623 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.495 HD21 HD13 ' A' ' 45' ' ' LEU . 2.9 tm? -53.48 123.88 13.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.941 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 56.7 mt-30 -117.81 159.92 40.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.701 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.32 -24.71 69.37 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.777 2.318 . . . . 0.0 112.709 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.65 74.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 45' ' ' LEU . 20.2 m-20 -69.66 -42.31 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.303 0.573 . . . . 0.0 110.086 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.7 mt -69.11 -34.64 64.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.134 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -57.08 -48.01 79.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.76 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -62.41 -39.11 92.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.887 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.55 -49.46 76.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.193 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.497 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.2 m-85 -59.88 -53.13 61.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.633 177.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.95 84.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.689 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.4 t -62.98 -41.33 99.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -79.27 -33.09 43.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.398 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.533 HD21 HG11 ' A' ' 75' ' ' VAL . 3.4 mm? -63.79 -34.07 77.08 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.092 0.473 . . . . 0.0 110.028 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.82 -32.93 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.527 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.9 m -78.01 -22.19 49.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.938 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.37 42.97 4.13 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.24 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 66' ' ' LEU . 1.5 pt? -81.26 161.24 24.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 7.3 m -67.26 129.27 93.82 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.849 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.452 ' HA ' HG12 ' A' ' 75' ' ' VAL . 52.6 Cg_exo -54.69 -34.3 83.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.118 2.545 . . . . 0.0 112.996 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 p -62.22 -30.46 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.96 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.541 ' O ' HG12 ' A' ' 78' ' ' ILE . 18.9 tpp85 -72.0 -52.2 18.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.319 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.533 HG11 HD21 ' A' ' 66' ' ' LEU . 14.6 p -68.95 -27.86 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.004 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.7 -41.74 91.97 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.01 -42.22 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.077 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 74' ' ' ARG . 51.0 mm -56.64 -40.84 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.383 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.497 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 19.3 t-80 -60.35 -45.4 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.5 -36.77 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.729 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.1 p -72.97 -37.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.82 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.41 ' HG ' HG21 ' A' ' 100' ' ' THR . 25.2 tp -73.6 -29.51 62.43 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.451 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 55.2 t-80 -61.11 -51.17 70.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.572 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.48 -50.26 74.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.015 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.08 87.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.018 -176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.22 -25.97 61.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.537 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 51.5 m -71.17 -28.36 64.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.671 0.272 . . . . 0.0 110.423 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -41.71 98.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.684 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -64.61 -41.12 96.41 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.516 176.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.79 -46.09 91.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.012 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 87' ' ' SER . 48.8 mm-40 -65.46 -25.0 67.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.312 -179.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -78.88 -14.9 58.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.635 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.99 -2.9 85.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.906 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.684 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -81.67 -14.48 56.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.238 0.542 . . . . 0.0 110.295 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.7 tp -120.87 123.14 41.82 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.53 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.78 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.2 pt? -77.93 -30.57 50.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.641 -174.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.473 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 4.9 pp0? -138.32 153.8 49.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.72 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 2.1 m-20 -94.74 104.71 15.27 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 15.3 Cg_exo -67.82 -26.04 38.81 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 111.874 -176.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 83' ' ' HIS . 2.1 p -82.74 -9.9 59.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.371 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.06 -33.66 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 109.6 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.56 25.92 11.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.868 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.6 112.46 22.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.17 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 44.1 mttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.579 -177.516 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.712 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 10.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.21 -46.03 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.465 ' HB3' HG12 ' A' ' 42' ' ' ILE . 12.5 pt-20 -68.31 -17.34 64.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.553 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.712 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -65.86 -62.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.789 -178.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -71.17 -24.99 62.35 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.781 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.578 HD12 ' HG2' ' A' ' 34' ' ' GLU . 1.5 mm? -63.64 -44.62 93.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.061 0.458 . . . . 0.0 110.334 173.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -73.37 -24.36 60.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 11.1 mmm-85 -73.2 -41.46 63.77 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.741 0.782 . . . . 0.0 108.999 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.773 178.319 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.697 0.284 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.499 ' HA ' HG21 ' A' ' 81' ' ' VAL . 62.0 m-85 -83.46 -35.17 25.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.579 . . . . 0.0 110.603 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.578 ' HG2' HD12 ' A' ' 13' ' ' LEU . 3.1 tm-20 -79.8 -47.74 14.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.072 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -57.08 -51.72 68.14 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 81' ' ' VAL . 16.1 m -59.72 -37.96 73.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.442 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.534 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.3 mp -64.88 -63.69 1.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.808 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.629 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 11.5 ptm180 -59.45 -39.29 83.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.005 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.52 -40.81 96.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -101.12 -52.03 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 37' ' ' LEU . 14.6 m -96.37 -10.61 8.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -168.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.629 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -77.46 -43.65 2.55 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.49 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.619 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 26.0 Cg_exo -64.9 -14.69 46.5 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.819 1.679 . . . . 0.0 112.096 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.8 p -106.6 -67.33 0.95 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.686 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.1 mt -105.82 -2.12 23.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.221 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -63.14 -30.89 78.88 Favored Glycine 0 CA--C 1.513 -0.057 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.283 -175.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 m -88.67 8.78 26.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.804 0.335 . . . . 0.0 111.129 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.5 mt -104.69 126.25 31.79 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.98 137.74 80.05 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.538 2.159 . . . . 0.0 111.868 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -27.81 67.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.924 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.45 -19.59 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.03 0.443 . . . . 0.0 110.874 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -104.95 -10.59 17.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.245 0.545 . . . . 0.0 110.308 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.55 117.01 6.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.659 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -95.41 148.19 34.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.108 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.27 -24.12 72.79 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.639 2.226 . . . . 0.0 111.88 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.82 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.24 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -71.1 -42.32 69.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.365 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.208 0.528 . . . . 0.0 109.844 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.568 ' HG2' ' HB3' ' A' ' 104' ' ' LYS . 0.7 OUTLIER -56.0 -53.47 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.446 174.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.62 -39.29 83.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.107 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.4 tm? -57.78 -51.44 69.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.844 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.16 -43.17 99.31 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.955 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.74 84.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.712 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.5 m -63.52 -34.46 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.137 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 3.5 mmmp? -58.35 -49.35 77.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -75.93 -32.42 59.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.336 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -55.71 -39.68 71.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -74.5 -4.4 36.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.427 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.35 40.4 13.38 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.743 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -90.08 147.8 23.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -178.202 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.2 m -60.12 133.99 90.37 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 123.316 0.385 . . . . 0.0 111.192 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 71' ' ' SER . 77.2 Cg_exo -52.21 -35.94 65.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.783 2.988 . . . . 0.0 113.838 -178.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.0 m -65.63 -33.95 77.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 110.381 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.461 ' O ' HD13 ' A' ' 78' ' ' ILE . 22.7 mmt85 -80.77 -2.54 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.395 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -95.51 -42.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -57.4 -53.09 62.04 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.56 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.412 ' HE2' HG11 ' A' ' 36' ' ' VAL . 63.8 t80 -57.1 -54.11 50.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.232 -177.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.476 ' HA ' HG12 ' A' ' 81' ' ' VAL . 1.8 mp -59.04 -40.23 80.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.58 -53.31 53.51 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.935 0.397 . . . . 0.0 110.718 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.58 -53.8 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.253 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.53 HG11 HG21 ' A' ' 36' ' ' VAL . 13.9 p -63.08 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.602 -174.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.56 -42.48 98.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.328 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.447 ' CD2' ' HB ' ' A' ' 100' ' ' THR . 20.7 m80 -60.38 -56.83 16.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.655 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.71 -28.16 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -174.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.75 86.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 110.639 177.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.15 -24.52 54.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.073 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.653 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 66.8 m -59.36 -37.21 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -56.59 -41.27 76.7 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.751 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.2 -39.31 92.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.778 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.562 HH11 ' HB3' ' A' ' 98' ' ' ASN . 55.9 ttp180 -64.24 -51.07 65.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.51 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 87' ' ' SER . 6.1 mm-40 -63.93 -23.38 67.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.141 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -70.18 -25.7 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.043 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.15 2.77 51.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.901 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.751 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -89.31 -18.61 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 110.192 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.3 tp -130.3 117.48 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.468 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.672 ' H ' HD23 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -88.41 -25.52 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.526 -176.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.56 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.3 mt-30 -100.97 169.76 8.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.807 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.562 ' HB3' HH11 ' A' ' 90' ' ' ARG . 6.7 p30 -122.76 98.24 43.21 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.615 0.722 . . . . 0.0 110.659 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.6 -17.05 11.45 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.042 2.495 . . . . 0.0 111.526 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.447 ' HB ' ' CD2' ' A' ' 83' ' ' HIS . 3.5 p -74.6 -50.86 16.26 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.751 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.63 -18.91 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.914 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 11.53 23.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.553 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.09 146.75 25.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HB3' ' HG2' ' A' ' 59' ' ' GLN . 35.7 tttp . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 112.356 -171.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 13.0 p . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 120.809 0.338 . . . . 0.0 111.341 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.583 ' HA ' ' NE1' ' A' ' 12' ' ' TRP . 59.8 t -62.84 -37.09 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.311 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.67 -23.3 67.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.334 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.13 -52.13 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.667 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.583 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 61.7 p-90 -79.29 -24.3 42.99 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.023 -176.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 42' ' ' ILE . 24.0 mt -71.89 -34.5 69.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.678 174.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -57.85 -41.89 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 174.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.482 ' NE ' ' HA ' ' A' ' 15' ' ' ARG . 3.3 mmp_? -67.34 -45.13 77.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.313 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.9 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.462 ' O ' HG22 ' A' ' 36' ' ' VAL . 34.8 m . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 111.407 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.07 -42.91 95.55 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -170.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -82.16 -33.19 29.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.391 0.615 . . . . 0.0 109.578 -177.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.9 m -63.91 -54.07 40.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.252 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 32' ' ' SER . 35.2 m -66.21 -30.51 50.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.707 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.605 ' O ' HG12 ' A' ' 41' ' ' VAL . 25.9 tp -65.58 -65.25 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.698 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 37.7 ptt180 -68.26 -37.18 80.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -174.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.31 -33.4 74.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.732 0.301 . . . . 0.0 111.644 -177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -95.2 -48.32 5.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 37' ' ' LEU . 10.0 p -100.62 -18.91 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.698 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -69.49 -47.42 26.24 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.673 -0.642 . . . . 0.0 112.221 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 59.4 Cg_endo -72.96 -5.14 16.68 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 121.519 1.48 . . . . 0.0 112.826 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 41' ' ' VAL . 9.5 p -108.22 -66.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.899 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.762 ' HG ' HD12 ' A' ' 48' ' ' ILE . 11.2 mp -107.72 9.27 29.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -175.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.533 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -63.95 -24.03 68.11 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.873 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -95.61 19.01 11.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 111.182 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.762 HD12 ' HG ' ' A' ' 45' ' ' LEU . 42.2 mt -106.67 125.32 33.04 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.032 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.732 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 21.6 Cg_endo -61.55 144.63 97.91 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.791 2.328 . . . . 0.0 112.064 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.477 HD13 HD13 ' A' ' 94' ' ' LEU . 95.2 mt -69.67 -25.73 64.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -168.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -83.6 -26.61 29.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.773 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.732 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 6.6 tmtm? -78.93 -22.31 45.98 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.27 106.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.446 HE21 ' HB2' ' A' ' 54' ' ' GLN . 15.0 mt-30 -93.79 157.93 37.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.763 176.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.94 -26.1 81.42 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 121.876 1.717 . . . . 0.0 110.572 168.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.31 68.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.915 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -71.42 -36.49 71.34 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.402 HG22 ' CE2' ' A' ' 62' ' ' TYR . 50.4 mt -67.3 -40.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.701 175.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -59.31 -43.93 92.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.437 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.71 -43.03 89.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.917 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.516 HD23 HD13 ' A' ' 45' ' ' LEU . 2.8 tm? -54.41 -46.86 73.25 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.272 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.488 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 27.5 m-85 -65.05 -46.4 81.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.28 -52.04 63.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.661 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.9 m -69.46 -17.24 63.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.09 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 5.4 mmtm -97.61 -28.54 13.89 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.571 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.65 -36.31 83.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.33 -31.86 64.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.25 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.4 m -77.46 -4.91 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.225 -177.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.47 34.98 6.38 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.111 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -76.81 128.93 35.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 75' ' ' VAL . 41.6 m -62.93 128.41 92.07 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.141 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.54 -36.7 40.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.501 2.801 . . . . 0.0 113.148 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -63.06 -41.12 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.283 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.543 ' O ' HG12 ' A' ' 78' ' ' ILE . 60.9 ttm-85 -81.72 -27.55 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.373 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 71' ' ' SER . 94.9 t -60.3 -42.41 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.44 0.638 . . . . 0.0 109.329 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -69.53 -33.67 73.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.159 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.16 -47.46 79.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.687 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 74' ' ' ARG . 50.8 mm -61.91 -35.43 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.26 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.488 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 25.4 t-80 -60.24 -44.44 95.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.233 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.58 -39.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.478 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -69.26 -37.96 76.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.54 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.54 -33.06 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 100' ' ' THR . 0.2 OUTLIER -52.83 -54.07 39.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.536 176.307 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 13.5 pt-20 -77.44 -38.95 48.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.538 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.46 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 0.0 111.568 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -72.13 -30.44 65.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.464 . . . . 0.0 110.122 179.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 t -65.75 -30.95 71.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.257 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 21.7 mt-30 -59.3 -39.15 82.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.327 175.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.945 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.54 -41.36 93.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.334 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.751 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 19.9 ttp180 -59.21 -52.34 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.385 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -77.19 1.99 16.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.484 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.6 t -92.79 -8.53 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 172.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 -8.0 79.43 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.026 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.945 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -87.67 -8.24 56.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 110.866 -176.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.751 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 25.5 tp -132.14 135.46 46.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.498 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.822 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.1 pt? -78.22 -32.05 49.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.471 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 4.1 pt20 -145.92 -174.7 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.014 -175.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.83 100.31 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.317 0.579 . . . . 0.0 111.009 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.19 -14.16 37.4 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.74 2.294 . . . . 0.0 111.309 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -65.13 -34.58 78.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.974 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -70.87 -19.74 62.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.14 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.61 4.78 38.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.601 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -93.32 99.6 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.277 0.561 . . . . 0.0 110.126 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 pttt . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.94 -176.627 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 67.5 p . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 120.577 0.227 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.785 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.6 t -62.55 -41.69 92.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.734 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -36.11 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.889 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 51.8 mt-30 -70.08 -33.7 72.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.115 0.483 . . . . 0.0 110.321 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -66.84 -50.37 62.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.822 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.773 HD12 HD11 ' A' ' 42' ' ' ILE . 83.8 mt -66.11 -36.57 83.52 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -54.89 -46.19 74.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.907 0.384 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.71 -35.67 38.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.789 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.154 176.576 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -80.3 -30.84 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.102 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 58.8 mm-40 -55.6 -57.64 11.11 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.313 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -54.56 -63.92 1.0 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.616 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -56.74 -38.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.596 ' O ' HG22 ' A' ' 41' ' ' VAL . 19.6 tp -66.24 -64.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.305 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 18.0 ptp180 -57.85 -43.31 85.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.154 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.1 tp -62.75 -41.65 99.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.967 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -100.15 -42.15 6.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -170.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 37' ' ' LEU . 4.1 m -100.42 -16.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.773 HD11 HD12 ' A' ' 13' ' ' LEU . 15.8 mm -72.68 -53.55 5.53 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 120.217 -0.593 . . . . 0.0 112.305 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 Cg_exo -66.37 -8.56 21.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 121.902 1.735 . . . . 0.0 112.681 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 p -107.19 -67.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.83 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 57' ' ' ASP . 3.5 mm? -98.24 -17.81 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.397 -176.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.785 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.23 -34.5 90.13 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.468 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.6 m -77.91 7.64 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.979 0.419 . . . . 0.0 111.357 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 71.2 mt -116.89 133.61 23.06 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.167 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 32.7 Cg_exo -60.89 145.66 98.71 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.74 2.293 . . . . 0.0 111.547 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.652 ' HB3' HD13 ' A' ' 95' ' ' LEU . 4.9 mp -66.57 -23.78 66.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -175.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -1.88 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.799 0.333 . . . . 0.0 111.246 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 35.5 tttm -123.23 7.75 9.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 173.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.671 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -72.56 99.31 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.446 0.641 . . . . 0.0 109.602 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -94.89 140.5 22.53 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.231 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.07 -34.18 94.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.038 2.492 . . . . 0.0 112.215 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.5 90.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.529 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.07 -32.08 66.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.557 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 HD11 ' A' ' 53' ' ' LEU . 71.2 mt -64.82 -46.07 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.949 174.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.51 -38.04 89.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.139 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -61.08 -38.75 87.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.474 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.83 -46.82 84.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.429 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.6 m-85 -62.91 -47.5 82.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.25 99.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.503 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -67.5 -39.56 85.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.789 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.911 ' HB3' HD12 ' A' ' 70' ' ' LEU . 3.8 mptp? -78.57 -20.35 50.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.276 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.81 -42.05 95.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.6 -27.1 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.652 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.8 m -67.19 -22.05 65.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.59 5.5 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.936 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' ' 65' ' ' LYS . 72.1 mt -86.56 128.22 34.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.607 -0.349 . . . . 0.0 110.166 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.476 ' OG ' ' HG2' ' A' ' 74' ' ' ARG . 24.3 p -70.98 151.14 95.05 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.84 -36.71 43.67 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.364 2.709 . . . . 0.0 113.414 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -69.56 -34.08 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 111.694 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.476 ' HG2' ' OG ' ' A' ' 71' ' ' SER . 30.3 mmm-85 -75.19 -37.75 61.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.306 0.574 . . . . 0.0 109.645 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 80' ' ' VAL . 67.2 ttt180 -58.89 -44.86 91.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.939 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.5 -46.76 86.98 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.783 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.525 ' HA ' HG12 ' A' ' 81' ' ' VAL . 74.5 mt -57.15 -39.65 68.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.697 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.429 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 30.9 t-80 -62.91 -37.06 85.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 76' ' ' ARG . 86.7 t -75.18 -45.38 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.306 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 78' ' ' ILE . 14.2 p -68.71 -38.81 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.02 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.466 ' HG ' HG21 ' A' ' 100' ' ' THR . 32.5 tp -70.01 -35.44 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.426 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 48.2 t-80 -58.5 -49.51 77.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.018 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.5 -56.95 15.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.187 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.42 -46.07 80.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.606 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 mmt -74.7 -19.1 60.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.909 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -70.61 -42.31 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.975 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -67.38 -41.73 84.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.149 176.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -59.77 -39.99 86.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 175.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.642 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 34.2 ttt180 -59.02 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.985 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.54 -18.36 65.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.657 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m -83.27 0.26 46.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.6 11.59 77.18 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.365 175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.617 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -100.75 -0.14 37.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.204 0.526 . . . . 0.0 110.664 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.652 HD13 ' HB3' ' A' ' 50' ' ' LEU . 13.9 tp -114.76 -98.3 0.44 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.875 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.544 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 44.4 tp 170.94 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.687 0.756 . . . . 0.0 109.211 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.544 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 49.7 mt-30 -144.86 -171.1 3.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.099 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -107.59 94.9 12.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 121.723 0.773 . . . . 0.0 110.52 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 73.2 Cg_endo -82.89 -17.72 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.457 2.105 . . . . 0.0 112.061 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.466 HG21 ' HG ' ' A' ' 82' ' ' LEU . 9.0 p -74.43 -18.71 60.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' HE2' ' A' ' 104' ' ' LYS . 27.6 tt0 -91.7 -27.33 18.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.75 -29.0 40.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.94 134.72 38.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.567 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.756 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 77.7 p . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 1.015 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 60.9 t -56.36 -41.88 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.492 ' HA ' HG13 ' A' ' 42' ' ' ILE . 11.5 pt-20 -68.56 -42.78 77.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.633 0.254 . . . . 0.0 111.322 -177.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.81 -39.42 83.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 0.0 110.571 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -71.71 -38.9 70.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.656 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -58.19 -47.82 82.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -177.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.968 0.413 . . . . 0.0 110.553 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -67.22 -32.43 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.1 t90 . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.636 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.542 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.7 m . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HD1' ' H ' ' A' ' 33' ' ' TYR . 8.3 m-85 -51.96 -62.43 1.64 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.771 0.669 . . . . 0.0 112.343 -170.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.565 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -60.77 -46.39 90.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.284 -174.314 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 m -56.47 -54.07 50.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.132 -175.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 32' ' ' SER . 21.5 m -68.05 -39.61 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 CA-C-O 120.986 0.422 . . . . 0.0 111.335 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 41' ' ' VAL . 17.5 tp -65.52 -56.11 14.12 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.627 ' HA ' HD13 ' A' ' 42' ' ' ILE . 15.7 ptm180 -60.56 -37.8 82.46 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -176.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.58 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.614 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -91.77 -46.81 7.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 37' ' ' LEU . 13.0 p -92.0 -32.46 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.627 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.4 mp -62.95 -48.38 84.95 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.51 -37.78 90.12 Favored 'Trans proline' 0 C--N 1.355 0.868 0 C-N-CA 122.108 1.872 . . . . 0.0 113.696 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 t -107.51 -51.19 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 57' ' ' ASP . 11.1 mp -95.02 -9.23 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.127 -0.358 . . . . 0.0 111.358 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 1.015 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.65 -30.74 78.54 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.192 -176.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -80.81 5.31 16.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.7 mt -102.28 131.68 22.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.756 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 11.2 Cg_endo -57.3 144.1 91.97 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.405 2.07 . . . . 0.0 111.586 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD23 HG22 ' A' ' 9' ' ' VAL . 90.3 mt -53.59 -39.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -80.76 -1.68 43.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.635 0.255 . . . . 0.0 111.6 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HB2' ' HG2' ' A' ' 49' ' ' PRO . 33.2 tttm -106.37 -3.46 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.345 0.593 . . . . 0.0 109.697 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.799 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -69.32 129.97 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.683 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -118.51 144.45 35.31 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.639 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 30.2 Cg_endo -63.77 -24.18 68.78 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.03 2.486 . . . . 0.0 112.589 -179.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.56 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.526 ' HB3' HD21 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.05 -30.14 63.49 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.944 178.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.799 HD11 HD11 ' A' ' 53' ' ' LEU . 62.8 mt -63.16 -46.85 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.215 0.531 . . . . 0.0 110.074 175.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.83 -36.48 84.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.174 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -66.48 -35.98 81.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.479 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.92 -46.78 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.458 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.2 m-85 -60.35 -48.91 79.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.78 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.15 -46.55 90.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.298 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.7 t -65.85 -39.18 90.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HB3' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -79.59 -21.26 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.569 0.223 . . . . 0.0 111.353 -178.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.99 -36.89 83.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.87 -22.98 66.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.964 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -72.83 -20.61 61.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.103 0.478 . . . . 0.0 110.444 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.66 49.55 0.96 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.798 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 65' ' ' LYS . 93.3 mt -99.26 139.91 34.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.7 m -72.91 145.76 86.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.293 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.56 -43.26 39.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.2 2.6 . . . . 0.0 112.99 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -32.33 73.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -73.71 -41.07 63.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.901 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.07 -36.01 76.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.825 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 80' ' ' VAL . 70.2 ttt180 -56.88 -46.62 81.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.385 176.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.61 -42.45 96.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.623 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.34 -41.47 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.335 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 47.2 t-80 -65.57 -39.13 91.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 76' ' ' ARG . 96.1 t -69.2 -53.33 26.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.217 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG21 ' HA ' ' A' ' 33' ' ' TYR . 14.9 p -62.14 -37.47 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 0.0 110.915 -176.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 100' ' ' THR . 53.9 tp -65.85 -40.38 91.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.177 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -69.01 -43.75 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.501 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -67.69 -42.0 82.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.754 -175.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.74 -43.09 31.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.786 0.327 . . . . 0.0 111.347 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 22.2 mmt -83.02 5.29 22.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -175.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 55.1 p -66.35 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -57.13 -36.08 70.25 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.783 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB1' HD23 ' A' ' 95' ' ' LEU . . . -61.88 -48.27 81.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.155 0.502 . . . . 0.0 110.715 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.82 -44.84 76.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 87' ' ' SER . 44.0 mt-10 -66.41 -30.33 70.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.681 -176.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -84.41 -4.08 58.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.28 0.562 . . . . 0.0 110.006 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.63 9.94 86.62 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.32 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 3.4 pp -85.72 -15.74 41.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.067 0.461 . . . . 0.0 109.959 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.567 HD23 ' HB1' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -113.81 138.4 50.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 170.559 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.494 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 37.3 tp -58.47 -54.47 46.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.618 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 54.3 mt-30 -138.85 -171.01 2.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.249 -174.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -103.76 95.49 7.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.618 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 3.2 Cg_exo -77.24 -23.09 10.58 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.28 2.653 . . . . 0.0 112.205 -177.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.516 HG22 ' HG ' ' A' ' 82' ' ' LEU . 15.6 p -71.85 -21.03 61.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.309 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -91.89 -26.29 18.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.95 58.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.015 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.63 115.39 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.992 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.2 mttp . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.68 -172.885 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.635 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.9 p . . . . . 0 N--CA 1.446 -0.662 0 CA-C-O 121.018 0.437 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.814 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 21.6 t -68.38 -35.97 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.717 -178.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' GLN . 9.2 pt-20 -61.28 -41.15 96.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.873 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 47.3 tt0 -77.25 -39.85 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.673 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -63.26 -52.34 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.749 HD13 HD21 ' A' ' 37' ' ' LEU . 75.9 mt -56.97 -53.56 56.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.26 -38.65 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.735 0.303 . . . . 0.0 111.61 -174.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -72.87 -53.66 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.084 0.469 . . . . 0.0 110.177 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.684 -174.528 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.473 ' O ' HG22 ' A' ' 36' ' ' VAL . 15.7 m . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -57.84 -49.83 75.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.683 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 30.9 tt0 -63.18 -46.43 87.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.107 0.48 . . . . 0.0 110.238 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -57.94 -61.57 2.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.814 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 32' ' ' SER . 33.4 m -63.16 -33.52 61.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.479 -174.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.749 HD21 HD13 ' A' ' 13' ' ' LEU . 20.0 tp -62.53 -68.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.578 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 38.2 ptt180 -63.37 -41.74 98.83 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.417 -173.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.38 -38.45 83.94 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.285 0.366 . . . . 0.0 111.734 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -100.53 -55.73 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -174.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 37' ' ' LEU . 18.8 m -99.32 -10.8 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -165.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.58 ' HB ' ' HA ' ' A' ' 38' ' ' ARG . 1.2 mp -72.71 -48.48 8.67 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.078 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.2 Cg_endo -72.16 -10.36 25.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.776 1.651 . . . . 0.0 112.763 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 p -107.12 -67.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.872 -177.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 57' ' ' ASP . 54.7 mt -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 -175.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.814 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -64.4 -22.6 67.68 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.855 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -90.45 3.61 53.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.917 0.389 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -101.57 128.58 28.69 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.316 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.494 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 51.5 Cg_exo -56.33 143.59 85.59 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.848 2.365 . . . . 0.0 112.333 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 94' ' ' LEU . 98.1 mt -57.73 -33.45 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.772 -177.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -87.74 5.44 39.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -177.607 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 84.5 tttt -115.18 -30.85 6.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.26 119.75 3.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.503 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -99.37 156.52 35.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.262 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.64 -28.22 76.73 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.074 1.849 . . . . 0.0 110.601 171.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.39 82.69 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.953 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' HD22 ' A' ' 45' ' ' LEU . 38.4 m-20 -62.11 -45.95 91.2 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.187 177.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.4 HG23 HD23 ' A' ' 82' ' ' LEU . 62.7 mt -64.46 -43.58 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.513 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.83 -41.76 98.19 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.403 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -65.17 -35.42 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.05 -49.11 76.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 43.4 m-85 -67.52 -44.88 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.736 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.25 82.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.772 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.7 m -66.96 -33.17 74.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.604 ' HB3' HD12 ' A' ' 70' ' ' LEU . 3.7 mptp? -82.32 -27.98 31.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.074 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.21 -33.42 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.56 -25.34 68.0 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.843 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 m -79.23 -14.7 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.905 0.383 . . . . 0.0 110.514 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.64 55.58 0.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.565 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 65' ' ' LYS . 40.8 mt -99.0 135.12 40.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.236 0.541 . . . . 0.0 111.745 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.6 t -67.96 144.91 97.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.974 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.62 -32.57 36.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.468 2.779 . . . . 0.0 112.963 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 p -71.24 -37.79 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.524 0.202 . . . . 0.0 111.385 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -44.82 81.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.18 0.514 . . . . 0.0 109.685 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.5 t -62.97 -34.14 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.293 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -68.23 -35.42 77.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.06 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.88 -46.52 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.461 ' HA ' HG12 ' A' ' 81' ' ' VAL . 59.9 mt -64.95 -30.45 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.593 0.711 . . . . 0.0 109.699 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.546 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 49.9 t-80 -63.17 -53.81 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.379 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.37 -41.48 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -67.04 -42.48 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.689 0.281 . . . . 0.0 111.119 -176.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.4 HD23 HG23 ' A' ' 58' ' ' ILE . 20.7 tp -71.56 -39.43 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.62 -177.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.438 ' HA ' ' CG2' ' A' ' 100' ' ' THR . 3.3 m80 -67.54 -42.17 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.296 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.66 -44.89 55.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.94 95.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.912 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.456 ' HB2' HG21 ' A' ' 100' ' ' THR . 54.1 mtt -72.41 -23.53 61.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.586 0.232 . . . . 0.0 111.398 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 58.5 m -66.51 -24.13 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.184 0.516 . . . . 0.0 110.134 176.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.84 -36.55 75.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.066 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.79 82.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.355 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -56.39 -52.69 63.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.714 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.07 -16.44 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.668 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -89.72 -9.36 49.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.3 5.32 79.82 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 50' ' ' LEU . 83.7 mt -84.26 -28.31 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.093 0.473 . . . . 0.0 110.263 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 97' ' ' GLN . 23.8 tp -120.18 129.15 53.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.099 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.815 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.3 pt? -84.6 -25.81 28.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 0.0 111.717 -172.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.47 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 48.8 mt-30 -133.6 179.67 6.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -113.21 93.67 27.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.133 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -77.69 -12.33 16.65 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 123.066 2.51 . . . . 0.0 110.934 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.456 HG21 ' HB2' ' A' ' 86' ' ' MET . 14.8 p -66.89 -58.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.18 -16.03 61.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.0 110.783 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.59 -14.48 56.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.651 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.19 98.06 9.7 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 mttm . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.084 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.611 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 1.3 p . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.605 0.24 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.488 ' HA ' HD21 ' A' ' 50' ' ' LEU . 58.8 t -55.55 -54.96 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.129 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' OE2' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -69.29 -21.77 63.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.3 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HG2' ' OE2' ' A' ' 10' ' ' GLU . 88.5 mm-40 -60.9 -49.3 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.565 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.466 ' HB3' HD11 ' A' ' 50' ' ' LEU . 84.9 t90 -77.06 -43.34 34.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.04 -48.86 79.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.57 -174.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.61 -45.02 94.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.606 0.241 . . . . 0.0 110.476 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -63.23 -51.46 66.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -178.084 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.479 ' HB2' HG21 ' A' ' 81' ' ' VAL . 3.1 p90 -64.93 -28.01 69.24 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.452 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 tt0 -60.5 -41.66 94.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -71.75 -53.29 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.3 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 33' ' ' TYR . 19.9 m -62.6 -37.22 78.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.588 -173.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.59 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.4 tp -64.05 -67.48 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.83 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.601 ' HA ' HD13 ' A' ' 42' ' ' ILE . 4.7 ptp180 -56.81 -38.25 72.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.217 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.31 -38.0 87.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.66 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -100.38 -47.85 4.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.8 p -84.8 -25.42 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -169.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.4 mp -70.55 -50.27 14.29 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.5 -9.64 26.04 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.053 1.835 . . . . 0.0 113.642 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 45' ' ' LEU . 6.3 t -102.25 -55.57 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 -179.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD22 HD21 ' A' ' 53' ' ' LEU . 4.0 pp -125.37 5.24 7.69 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.469 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.66 -15.98 71.54 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.004 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -90.78 4.21 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 110.325 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -110.4 134.55 20.79 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.184 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.611 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 53.3 Cg_exo -53.99 139.82 70.03 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.789 2.326 . . . . 0.0 112.269 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 9' ' ' VAL . 81.0 mt -56.32 -39.42 72.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.199 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -86.79 9.09 20.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.936 0.398 . . . . 0.0 111.252 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HE2' ' HG2' ' A' ' 49' ' ' PRO . 21.3 ttmm -115.19 -9.78 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.403 0.621 . . . . 0.0 109.399 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.486 HD21 HD22 ' A' ' 45' ' ' LEU . 3.2 tm? -67.74 122.13 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.761 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -101.15 139.46 20.49 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.593 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.529 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 11.2 Cg_endo -55.57 -28.69 66.28 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.3 2.666 . . . . 0.0 112.368 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.9 70.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HA ' ' HB3' ' A' ' 60' ' ' ARG . 2.2 t70 -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.63 -42.97 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.468 0.652 . . . . 0.0 109.69 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.44 -38.36 87.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.467 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.466 ' HB3' ' HA ' ' A' ' 57' ' ' ASP . 11.2 ttt180 -61.52 -38.63 88.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.248 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.6 -51.46 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.038 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 29.0 m-85 -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.19 59.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.044 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -64.61 -43.12 94.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.201 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.37 -42.79 96.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 0.0 110.143 175.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.66 -27.95 68.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.413 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -73.39 -19.19 61.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.09 20.09 5.34 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.34 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.2 tp -73.17 139.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -60.87 123.98 77.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HA ' HG12 ' A' ' 75' ' ' VAL . 53.1 Cg_exo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.165 2.577 . . . . 0.0 112.652 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 p -68.05 -40.46 82.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.101 0.476 . . . . 0.0 111.01 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 78' ' ' ILE . 97.2 mtt180 -72.74 -38.05 67.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 72' ' ' PRO . 8.3 p -71.58 -24.09 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.195 0.521 . . . . 0.0 110.198 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -68.63 -36.24 78.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.958 173.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -70.04 -42.62 72.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.943 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 75' ' ' VAL . 92.1 mt -57.38 -41.42 78.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.613 176.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.454 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 39.5 t-80 -56.94 -46.57 81.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 p -78.75 -34.88 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 33' ' ' TYR . 12.4 p -77.1 -34.82 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.755 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 tt -67.93 -38.54 83.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.524 ' HA ' HG21 ' A' ' 100' ' ' THR . 53.6 t-80 -55.47 -43.17 75.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.536 175.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.56 -52.8 55.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.75 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -172.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.0 tpt -70.15 -21.18 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -171.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.5 m -67.43 -19.57 65.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 110.91 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.93 -19.4 61.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.37 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 94' ' ' LEU . . . -64.63 -32.52 74.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -73.43 -35.91 65.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.107 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 t -71.89 -15.53 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.66 8.52 84.5 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.923 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 4.2 pp -83.97 -20.82 32.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.093 0.473 . . . . 0.0 110.527 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 95' ' ' LEU . 14.4 tp -124.17 132.2 53.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.805 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.3 pt? -79.44 -25.78 41.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.769 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -134.83 177.14 8.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.486 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.415 ' HB3' ' HG2' ' A' ' 101' ' ' GLU . 19.1 t30 -108.27 116.32 56.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -80.48 -11.26 13.09 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.617 2.211 . . . . 0.0 113.083 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.524 HG21 ' HA ' ' A' ' 83' ' ' HIS . 12.4 p -76.78 -19.72 57.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 111.685 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 98' ' ' ASN . 17.0 mm-40 -72.29 -26.96 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 0.0 110.802 -176.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.529 ' HB3' ' HB2' ' A' ' 55' ' ' PRO . . . -95.41 10.31 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.034 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.4 102.9 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.827 -176.133 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.746 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 1.8 m . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.499 ' H ' HG22 ' A' ' 8' ' ' THR . 41.1 t -57.38 -45.51 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.676 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.746 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -64.17 -34.75 78.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -72.15 -42.55 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.434 ' HB2' HD11 ' A' ' 50' ' ' LEU . 24.0 t90 -64.38 -52.06 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.72 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.98 -38.61 79.52 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.164 0.29 . . . . 0.0 111.001 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -59.92 -45.09 93.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -76.03 -37.6 58.2 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.575 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.9 t90 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.358 -177.239 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.46 ' HB2' HG23 ' A' ' 81' ' ' VAL . 50.5 p90 -71.97 -20.11 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.249 -0.282 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' CD ' ' HE ' ' A' ' 38' ' ' ARG . 14.7 tm-20 -71.77 -32.54 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -63.6 -56.01 19.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.765 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.93 -37.36 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.733 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.595 ' O ' HG12 ' A' ' 41' ' ' VAL . 70.7 mt -59.18 -66.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.975 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HB2' HD12 ' A' ' 42' ' ' ILE . 8.0 ptp180 -59.78 -33.94 72.36 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -176.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.72 -34.79 78.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.321 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.424 ' O ' HG22 ' A' ' 44' ' ' THR . 78.9 m80 -100.09 -45.28 5.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 37' ' ' LEU . 11.6 p -80.73 -37.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 38' ' ' ARG . 47.2 mt -66.52 -50.3 47.65 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 29.7 Cg_exo -63.34 -30.81 73.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.802 1.668 . . . . 0.0 113.847 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.566 HG23 HD13 ' A' ' 45' ' ' LEU . 7.0 t -107.26 -22.97 12.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -171.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.784 ' HG ' HD12 ' A' ' 48' ' ' ILE . 5.4 mp -127.52 23.48 6.32 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.25 3.36 58.65 Favored Glycine 0 C--N 1.329 0.151 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.838 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -106.02 8.44 32.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.446 0.641 . . . . 0.0 109.532 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.784 HD12 ' HG ' ' A' ' 45' ' ' LEU . 62.6 mt -117.68 115.44 37.25 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.055 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.726 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 23.8 Cg_exo -62.99 154.53 66.42 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.967 2.445 . . . . 0.0 111.786 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 12' ' ' TRP . 84.2 mt -57.18 -37.3 71.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.739 -176.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -88.6 3.49 50.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.338 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.726 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 50.5 tttp -105.2 -15.91 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 58' ' ' ILE . 2.9 tm? -63.57 105.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.815 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 13.8 mm100 -105.57 160.91 24.45 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.083 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.04 -29.91 67.45 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.698 2.266 . . . . 0.0 112.177 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . . . -67.56 -28.75 68.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 111.071 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.42 -30.49 42.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.132 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 99' ' ' PRO . 59.1 mt -74.33 -38.75 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.879 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.46 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 10.7 pt20 -66.84 -32.25 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.963 176.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -58.02 -42.5 85.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.37 -58.08 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.93 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.596 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.8 m-85 -57.81 -48.75 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.735 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.16 86.09 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -61.47 -35.73 78.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.981 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.864 ' HB3' HD12 ' A' ' 70' ' ' LEU . 10.0 mptt -88.23 -29.61 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.723 -177.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.19 -28.59 69.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.882 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.3 m -72.67 -12.85 61.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.5 13.39 7.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.426 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.864 HD12 ' HB3' ' A' ' 65' ' ' LYS . 42.4 mt -73.77 142.8 46.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.228 0.514 . . . . 0.0 110.525 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -83.54 149.01 56.61 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.17 -30.51 41.72 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.943 2.428 . . . . 0.0 112.764 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -70.98 -44.41 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.579 ' HG2' HD22 ' A' ' 70' ' ' LEU . 10.8 tpp180 -60.56 -45.42 93.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 -36.16 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.917 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.01 -38.0 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.906 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.61 -49.38 75.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.181 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.545 ' HA ' HG12 ' A' ' 81' ' ' VAL . 37.2 mm -53.81 -37.79 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.072 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.596 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 54.2 t-80 -62.26 -43.83 97.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 83' ' ' HIS . 61.9 t -69.47 -46.17 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.065 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 78' ' ' ILE . 8.3 p -69.99 -31.07 46.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.206 -177.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.5 tp -69.31 -33.19 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.242 0.544 . . . . 0.0 109.578 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 44.6 t-80 -60.55 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.846 174.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.81 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.681 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.51 -51.76 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.457 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -33.03 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.056 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.7 m -64.46 -41.79 96.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.539 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -61.96 -41.62 98.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.121 0.486 . . . . 0.0 110.268 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 15.0 ttp180 -54.63 -54.63 38.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.121 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.53 9.24 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.872 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -117.7 7.88 12.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.213 0.53 . . . . 0.0 109.786 173.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 12.93 83.35 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.847 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.21 -17.48 23.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.411 . . . . 0.0 110.572 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 24.2 tp -142.34 125.37 16.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.375 177.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.703 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -79.57 -18.64 51.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -133.32 168.71 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.603 0.24 . . . . 0.0 111.165 -174.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.17 95.46 15.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.63 0.729 . . . . 0.0 109.706 169.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 13.0 Cg_exo -69.76 -21.2 33.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.771 2.314 . . . . 0.0 112.62 -172.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.3 p -62.64 -37.37 86.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.712 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.26 -18.98 61.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.24 -6.68 19.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.95 96.71 10.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.401 0.619 . . . . 0.0 110.781 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 18.8 pttm . . . . . 0 C--N 1.316 -0.857 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.573 179.868 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.537 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 64.1 t -58.13 -49.01 83.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -34.49 76.1 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.67 -172.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -66.77 -43.06 85.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.884 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.482 ' HE3' HD22 ' A' ' 13' ' ' LEU . 21.8 t90 -65.68 -51.08 62.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.482 HD22 ' HE3' ' A' ' 12' ' ' TRP . 4.5 mm? -63.84 -45.58 88.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.425 HD22 ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -58.18 -36.91 73.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.059 -179.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -65.52 -46.52 79.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.619 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.7 t-105 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -177.713 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.752 0.311 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -74.11 -17.39 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.643 0.258 . . . . 0.0 111.213 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -79.07 -30.16 43.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 m -61.49 -59.5 5.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.308 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.526 HG21 ' HE2' ' A' ' 77' ' ' TYR . 29.1 m -61.41 -36.1 70.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.035 0.445 . . . . 0.0 110.859 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.8 tp -65.3 -56.95 9.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.353 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.667 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -61.06 -38.98 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.656 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.93 -41.63 91.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.008 -172.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -92.24 -48.8 6.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 42' ' ' ILE . 14.8 p -100.49 -20.5 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.667 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.5 mp -69.91 -49.85 18.69 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.844 -0.535 . . . . 0.0 112.094 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.632 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 6.6 Cg_exo -75.55 -5.0 16.04 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.073 1.849 . . . . 0.0 112.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -107.09 -67.29 0.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.822 0.344 . . . . 0.0 111.69 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.68 3.18 34.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 0.0 110.799 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.537 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -65.28 -27.42 72.4 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.057 -178.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 m -95.74 23.93 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.039 0.447 . . . . 0.0 111.112 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 9' ' ' VAL . 68.3 mt -118.69 131.87 24.11 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.56 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.47 144.83 90.97 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.625 2.217 . . . . 0.0 112.099 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -83.29 -17.58 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.499 177.492 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -99.35 -16.67 18.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.846 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -59.83 121.02 10.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -109.0 146.6 34.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.731 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.03 -27.95 86.01 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.739 2.293 . . . . 0.0 111.75 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.94 -47.23 77.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.33 -29.53 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.299 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.846 HD11 HD11 ' A' ' 53' ' ' LEU . 59.8 mt -69.16 -47.53 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.382 . . . . 0.0 110.221 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.36 -37.61 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.215 0.531 . . . . 0.0 109.79 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -59.72 -45.48 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.737 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.63 -50.87 64.78 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.94 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.421 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 35.9 m-85 -61.07 -54.39 45.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.106 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.68 99.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.825 -173.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' HB3' ' A' ' 67' ' ' GLU . 38.6 t -66.81 -44.98 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.677 -176.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -87.6 -21.44 25.35 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.136 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.74 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 65.6 tp -63.56 -31.95 73.27 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 167.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 64' ' ' SER . 30.0 tt0 -73.25 -35.66 66.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.723 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -66.07 -39.06 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.17 42.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.631 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.74 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 62.6 mt -99.13 156.22 17.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.087 0.443 . . . . 0.0 110.683 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -95.69 147.81 33.59 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.747 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.42 -36.55 88.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.849 2.366 . . . . 0.0 112.042 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.57 -37.22 84.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.645 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.8 tpt180 -73.82 -36.98 65.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.645 HG21 HD13 ' A' ' 66' ' ' LEU . 86.8 t -63.25 -41.88 94.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.718 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.526 ' HE2' HG21 ' A' ' 36' ' ' VAL . 85.7 t80 -59.85 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 74' ' ' ARG . 76.0 mt -59.33 -40.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.421 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 26.8 t-80 -62.84 -46.89 85.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.083 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.17 -34.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.42 -39.66 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.476 ' HG ' HG21 ' A' ' 100' ' ' THR . 51.9 tp -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 177.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.604 ' CD2' ' HB2' ' A' ' 101' ' ' GLU . 53.2 t-80 -59.61 -48.31 82.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.408 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.74 -50.46 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.433 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 88' ' ' GLN . . . -68.01 -32.15 72.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.677 -173.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.51 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 54.3 ttm -78.07 -19.2 54.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.38 . . . . 0.0 110.725 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 74.4 m -61.02 -38.75 87.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.324 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 85' ' ' ALA . 12.8 pt20 -65.35 -25.67 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.034 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -75.35 -37.41 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.506 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 61.1 ttp180 -65.37 -49.88 67.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.964 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 87' ' ' SER . 13.3 mm-40 -63.41 -29.82 71.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.958 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -65.65 -22.69 66.67 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.783 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.0 -15.69 51.25 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.683 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.558 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.2 pp -74.91 -18.99 60.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 0.0 110.111 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 40.0 tp -130.14 132.74 46.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.614 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.695 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.1 pt? -96.9 -28.63 14.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.731 0.3 . . . . 0.0 111.528 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.58 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 47.8 mt-30 -110.43 153.2 25.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.639 -175.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -110.23 94.62 18.85 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HG2' HD12 ' A' ' 53' ' ' LEU . 7.2 Cg_exo -74.26 -18.79 20.42 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.183 2.589 . . . . 0.0 113.169 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.476 HG21 ' HG ' ' A' ' 82' ' ' LEU . 78.8 p -63.81 -40.23 96.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 0.0 111.315 -176.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.604 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 10.8 tt0 -85.31 -24.59 27.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.437 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.3 63.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.616 0.722 . . . . 0.0 109.724 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.35 95.92 10.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.307 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 33.0 ttpt . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.589 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.686 0.279 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.505 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 46.9 t -70.45 -51.55 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.329 -175.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -20.97 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 111.563 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.89 HE21 ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -68.78 -54.41 16.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.969 -179.004 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.451 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 65.1 p-90 -76.55 -22.64 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.411 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -45.75 91.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.206 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.48 -48.24 82.39 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -66.13 -38.81 89.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -177.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.982 0.42 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.591 ' HA ' HG22 ' A' ' 36' ' ' VAL . 22.7 p90 -68.16 -15.13 63.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -64.61 -42.59 95.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 110.146 174.251 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 m -75.91 -48.61 20.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.915 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 33' ' ' TYR . 18.9 m -56.38 -37.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.419 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.0 tp -61.89 -66.3 0.56 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.52 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.639 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 29.6 ptt85 -62.83 -30.63 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.631 -175.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.95 -34.96 78.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.542 0.21 . . . . 0.0 111.558 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -99.53 -41.25 7.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -174.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 37' ' ' LEU . 12.8 p -100.42 -25.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -171.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.639 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -66.07 -43.27 56.04 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.762 -0.586 . . . . 0.0 112.255 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 16.5 Cg_exo -70.61 -13.84 32.89 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 112.688 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' HB ' HD22 ' A' ' 45' ' ' LEU . 16.8 p -107.39 -68.2 0.91 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 HD12 ' A' ' 48' ' ' ILE . 2.6 mm? -103.39 -7.16 21.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.797 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -65.73 -21.4 69.17 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 113.433 -175.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -98.3 9.02 44.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 110.027 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.439 HD12 HD12 ' A' ' 45' ' ' LEU . 68.6 mt -106.28 129.39 24.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.231 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 9.8 Cg_endo -54.13 137.01 69.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 123.13 2.553 . . . . 0.0 112.715 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.23 -26.88 61.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.456 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -77.65 -17.85 57.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.3 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.518 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 62.6 tttp -115.7 -3.06 12.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 0.0 110.404 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.879 HD11 HD11 ' A' ' 58' ' ' ILE . 3.2 tm? -65.43 119.9 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.803 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -106.68 138.79 19.87 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.083 -177.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 58' ' ' ILE . 18.5 Cg_endo -59.94 -30.51 91.91 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.069 2.513 . . . . 0.0 112.482 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.14 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.78 -25.67 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.157 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.879 HD11 HD11 ' A' ' 53' ' ' LEU . 73.2 mt -69.34 -47.99 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.166 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -65.46 -37.37 86.68 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -55.5 -45.49 77.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.556 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.79 -48.68 74.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 31.1 m-85 -62.91 -45.32 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.722 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.86 87.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.057 0.456 . . . . 0.0 111.086 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -65.82 -35.58 81.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.047 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.97 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.785 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.65 -20.91 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.165 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.6 t -76.22 -42.54 45.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.382 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.86 43.84 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.03 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 mt -99.14 139.84 34.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.36 . . . . 0.0 110.508 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -83.65 146.12 49.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.41 -39.87 16.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.608 2.872 . . . . 0.0 113.457 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -64.69 -44.31 90.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.076 0.465 . . . . 0.0 111.133 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 78' ' ' ILE . 73.4 mtp180 -66.24 -38.79 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.282 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.38 -43.32 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.809 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.29 -23.59 64.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.61 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HA ' HG12 ' A' ' 80' ' ' VAL . 35.7 t80 -70.97 -46.89 61.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 74' ' ' ARG . 43.7 mm -59.36 -34.44 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.515 0.674 . . . . 0.0 110.33 174.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.59 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.7 t-80 -67.81 -42.27 81.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.071 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 77' ' ' TYR . 7.7 p -79.73 -29.47 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.537 -174.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 33' ' ' TYR . 11.1 p -73.08 -39.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.465 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.631 ' HG ' HG21 ' A' ' 100' ' ' THR . 31.8 tp -70.61 -31.61 68.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.297 0.57 . . . . 0.0 109.515 176.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.707 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -66.32 -51.57 55.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.91 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.78 69.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.116 -175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.3 mtt -74.55 -17.35 60.75 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -69.44 -35.56 75.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 109.969 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.26 -40.23 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.37 85.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 53.7 ttp85 -59.13 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.808 176.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.24 -2.56 45.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.995 0.426 . . . . 0.0 111.189 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.4 t -95.09 -3.94 47.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.097 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.03 20.4 65.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -94.17 -27.45 16.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.11 0.481 . . . . 0.0 110.103 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 20.8 tp -142.87 139.98 31.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.455 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.804 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.9 pt? -92.38 -14.94 27.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -174.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.554 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.6 mt-30 -133.69 178.07 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -120.6 96.29 48.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.773 0.797 . . . . 0.0 110.548 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.31 -19.64 19.45 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.831 2.354 . . . . 0.0 112.885 -174.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.631 HG21 ' HG ' ' A' ' 82' ' ' LEU . 5.0 p -71.28 -33.65 69.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.973 0.416 . . . . 0.0 111.399 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -82.98 -26.08 31.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -20.37 59.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.244 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.05 92.61 9.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.637 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.765 -178.589 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.643 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 81.2 t -60.2 -38.79 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.673 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HB3' HG23 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -74.42 -30.34 61.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.2 -47.76 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -61.57 -44.64 96.65 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.669 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -59.49 -47.25 86.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.529 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.84 -44.0 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.1 0.476 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -62.99 -46.56 87.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.102 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.511 ' HZ2' ' HB3' ' A' ' 88' ' ' GLN . 64.9 t-105 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.686 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.234 0.285 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.46 ' HB2' HG23 ' A' ' 81' ' ' VAL . 4.6 p90 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 tp10 -65.28 -44.81 86.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -66.42 -53.34 36.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.604 -176.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -61.65 -38.11 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 120.715 0.293 . . . . 0.0 111.652 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 41' ' ' VAL . 22.5 tp -61.22 -63.95 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 -177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.708 ' HB3' HD12 ' A' ' 42' ' ' ILE . 11.3 ptp180 -63.41 -38.53 91.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.816 -176.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.63 -37.95 80.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -100.6 -51.65 3.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.7 p -101.17 -17.85 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 38' ' ' ARG . 2.1 mt -71.36 -48.19 12.93 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -174.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.663 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 4.1 Cg_exo -77.47 -6.68 16.48 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.742 1.628 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.503 HG21 ' HE3' ' A' ' 65' ' ' LYS . 20.6 p -100.93 -67.23 0.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.527 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.1 mt -93.45 3.21 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 0.0 111.011 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.643 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -69.2 -12.44 65.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.417 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -95.76 2.0 53.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.863 0.363 . . . . 0.0 110.516 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.3 mt -105.33 119.1 54.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.193 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.56 139.42 75.63 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.671 2.247 . . . . 0.0 112.074 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB3' HD21 ' A' ' 95' ' ' LEU . 86.6 mt -57.66 -33.77 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.009 -175.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.69 -1.91 52.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -107.77 -33.26 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.58 118.23 2.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.272 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -109.28 161.68 22.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.511 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.07 -31.86 91.49 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.738 2.292 . . . . 0.0 112.131 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.12 96.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.204 0.526 . . . . 0.0 110.099 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.447 HG22 ' CE2' ' A' ' 62' ' ' TYR . 52.4 mt -67.91 -43.52 85.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.004 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.363 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -57.82 -42.38 84.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.441 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.479 HD22 ' HD3' ' A' ' 65' ' ' LYS . 2.9 tm? -57.07 -54.93 41.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.967 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.512 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 21.7 m-85 -58.89 -46.6 87.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.27 -50.7 71.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.441 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.7 t -65.57 -38.71 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HE3' HG21 ' A' ' 44' ' ' THR . 3.7 mptp? -78.12 -36.69 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.44 -177.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.722 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 62.1 tp -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.75 -30.87 69.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.057 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 t -76.8 -10.03 59.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.65 51.66 0.41 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.115 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.722 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 29.3 mt -98.65 152.29 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.603 0.24 . . . . 0.0 110.379 174.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.466 ' HB3' ' HD3' ' A' ' 74' ' ' ARG . 9.3 t -90.32 136.2 28.79 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.632 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 76.7 Cg_exo -51.3 -33.45 45.56 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.089 2.526 . . . . 0.0 112.832 -176.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -60.42 -44.8 95.4 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.365 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.587 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.1 mpt_? -71.36 -39.57 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.221 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.581 HG21 HD13 ' A' ' 66' ' ' LEU . 52.4 t -56.12 -39.78 60.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 123.36 0.413 . . . . 0.0 110.381 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 68.5 mtt-85 -63.29 -45.54 90.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.515 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.94 -35.27 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.016 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 74' ' ' ARG . 73.0 mt -61.72 -34.7 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.883 0.373 . . . . 0.0 110.189 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.512 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 62.9 t-80 -67.21 -40.43 86.43 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 76' ' ' ARG . 84.5 t -64.32 -51.81 63.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 78' ' ' ILE . 10.2 p -65.81 -37.13 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.154 -177.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.24 -42.27 93.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -64.68 -42.82 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.002 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.06 -52.65 64.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.389 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 -44.05 63.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.5 tpp -80.45 -13.19 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.572 ' HA ' ' OD1' ' A' ' 98' ' ' ASN . 79.8 p -63.66 -35.08 79.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.022 0.439 . . . . 0.0 110.34 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.511 ' HB3' ' HZ2' ' A' ' 16' ' ' TRP . 15.1 mm100 -62.98 -29.98 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.659 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -63.97 -42.86 97.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.282 0.563 . . . . 0.0 110.275 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.489 ' HD3' ' HA ' ' A' ' 97' ' ' GLN . 16.0 ttp180 -68.96 -45.68 70.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.587 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -73.3 -12.49 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.61 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.3 t -85.36 -34.4 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.74 25.73 6.74 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.751 -0.738 . . . . 0.0 113.195 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.659 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -106.19 -16.6 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.052 0.454 . . . . 0.0 110.17 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -118.53 132.69 56.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.562 176.595 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.41 -51.13 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.483 0.489 . . . . 0.0 110.68 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 11.4 pt20 -147.86 176.0 10.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.399 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.572 ' OD1' ' HA ' ' A' ' 87' ' ' SER . 3.6 m120 -102.0 110.87 63.4 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -63.07 -10.77 21.9 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.024 2.483 . . . . 0.0 112.595 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 p -66.83 -27.44 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.21 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 98' ' ' ASN . 2.4 mm-40 -75.74 -24.79 56.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.305 0.574 . . . . 0.0 110.312 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.46 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . . . -103.12 5.35 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.645 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.03 101.76 12.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.109 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -176.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.0 p . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.638 0.256 . . . . 0.0 111.652 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.886 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 57.2 t -51.76 -52.0 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.335 -173.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.11 -28.5 69.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.632 0.253 . . . . 0.0 111.316 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -75.39 -49.92 17.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.765 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 53.3 p-90 -73.29 -31.8 64.25 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -68.43 -34.94 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.136 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.11 -41.91 93.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.533 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.48 -36.93 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.944 179.137 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -78.11 -20.78 51.51 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 6.9 tp10 -60.78 -60.97 2.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.977 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -53.7 -62.1 1.87 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.102 -174.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.1 m -56.27 -43.38 76.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.593 ' O ' HG12 ' A' ' 41' ' ' VAL . 25.0 tp -64.42 -62.37 1.64 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.668 -175.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.596 ' HA ' HD13 ' A' ' 42' ' ' ILE . 12.9 ptm85 -64.82 -37.8 88.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.26 -37.87 81.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.626 0.25 . . . . 0.0 111.577 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -97.54 -55.46 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 37' ' ' LEU . 7.4 p -87.27 -27.66 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.3 mp -66.61 -47.43 56.79 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 74.3 Cg_endo -73.49 -15.67 24.67 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 121.534 1.489 . . . . 0.0 113.148 -177.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.802 HG23 ' HG ' ' A' ' 45' ' ' LEU . 14.7 t -107.42 -42.12 4.89 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' ' 44' ' ' THR . 85.1 mt -121.95 -9.68 8.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.402 -175.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.886 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -67.69 -13.87 64.18 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.522 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -98.41 5.78 47.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.82 0.343 . . . . 0.0 110.458 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -110.4 133.18 21.18 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.07 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.23 142.99 86.81 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.822 2.348 . . . . 0.0 112.653 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.34 -27.62 67.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.022 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -79.35 1.16 26.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.51 . . . . 0.0 110.636 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -118.73 7.83 11.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -81.5 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.722 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -112.74 149.62 41.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.649 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 13.4 Cg_endo -57.53 -34.76 98.55 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.893 2.395 . . . . 0.0 112.447 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.75 70.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.07 -38.51 61.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.846 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 53' ' ' LEU . 60.9 mt -66.19 -36.7 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.077 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.08 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.818 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 60' ' ' ARG . 12.6 ttp180 -62.88 -41.93 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.563 175.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -49.15 -60.93 2.37 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.61 0.569 . . . . 0.0 109.598 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.85 -50.38 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.222 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.77 77.52 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -64.5 -36.12 83.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.201 -174.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -86.92 -20.95 26.62 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.848 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.03 -27.44 68.11 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.149 176.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.06 -31.57 52.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.274 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -79.75 -21.65 44.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.07 56.43 0.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.581 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.1 mt -77.8 130.78 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.613 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 7.3 m -68.29 138.77 91.93 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 172.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.94 -27.87 75.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.774 2.316 . . . . 0.0 111.833 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 p -63.21 -41.76 99.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.982 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.613 ' HG3' ' HB2' ' A' ' 71' ' ' SER . 33.6 mtt180 -66.01 -49.61 67.16 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.49 -44.3 84.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.776 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 80' ' ' VAL . 21.4 ttt180 -61.09 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.682 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -64.0 -45.31 89.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.168 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 74' ' ' ARG . 63.1 mt -60.59 -39.33 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.309 0.576 . . . . 0.0 109.972 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -65.5 -37.5 86.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.934 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 76' ' ' ARG . 96.8 t -73.49 -49.7 34.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.353 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.92 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.7 0.286 . . . . 0.0 111.016 -176.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.421 HD23 HG23 ' A' ' 100' ' ' THR . 30.2 tp -68.12 -37.7 81.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -54.07 -48.68 70.38 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.17 -54.58 42.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.471 0.482 . . . . 0.0 110.926 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.21 99.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.48 -28.69 68.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.525 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -64.87 -36.81 85.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.593 0.235 . . . . 0.0 110.742 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.5 -36.02 78.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -69.11 -40.38 78.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.388 0.613 . . . . 0.0 110.066 173.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 13.1 ttt-85 -57.54 -48.65 78.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.832 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.87 -8.79 57.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.332 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -84.12 -9.87 58.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.23 7.36 83.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.882 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.7 pp -95.66 -13.48 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 15.7 tp -124.33 145.23 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.962 -177.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.36 -49.33 64.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.279 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.553 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 3.6 pt20 -152.76 -171.01 3.8 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.078 -174.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -100.32 98.84 8.43 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.987 0.422 . . . . 0.0 109.909 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 16.7 Cg_exo -67.93 -15.9 44.46 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.975 2.45 . . . . 0.0 111.842 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.421 HG23 HD23 ' A' ' 82' ' ' LEU . 6.4 m -61.92 -47.22 85.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.107 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.36 -20.2 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.83 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.06 -24.36 60.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.388 0.613 . . . . 0.0 109.481 173.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.56 104.41 16.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.006 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm . . . . . 0 C--N 1.32 -0.71 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.353 -178.624 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.235 0.325 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.82 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 94.6 t -68.04 -45.58 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.061 0.458 . . . . 0.0 110.133 175.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HB3' HG23 ' A' ' 42' ' ' ILE . 6.5 pt-20 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.008 -174.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -72.56 -41.64 65.53 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.244 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.727 ' HE3' HD22 ' A' ' 13' ' ' LEU . 66.7 t90 -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.028 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.727 HD22 ' HE3' ' A' ' 12' ' ' TRP . 4.2 mm? -62.35 -30.64 71.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.912 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -61.82 -53.06 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.295 0.569 . . . . 0.0 110.396 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.17 -29.42 66.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.711 ' HE1' ' HG2' ' A' ' 88' ' ' GLN . 87.0 t90 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.364 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.813 0.339 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -61.44 -41.32 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.097 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.6 mt-10 -62.54 -53.65 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.6 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m -54.8 -61.94 1.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.101 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -60.1 -40.55 83.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.3 tp -68.45 -61.27 1.91 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.671 ' HB2' HD12 ' A' ' 42' ' ' ILE . 5.1 ptp180 -61.86 -36.93 82.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.744 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.07 -44.2 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.682 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -91.51 -43.25 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.7 p -98.55 -27.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -169.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 38' ' ' ARG . 13.4 mt -65.87 -48.93 60.96 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.697 -0.627 . . . . 0.0 112.624 -175.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.8 Cg_endo -71.93 -14.71 29.49 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.585 1.523 . . . . 0.0 112.807 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.6 p -97.74 -64.57 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 111.562 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -115.29 -2.51 12.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.0 -175.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.82 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.44 -20.1 76.7 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.557 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -79.39 -7.42 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.285 0.564 . . . . 0.0 110.727 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.0 mt -98.7 133.04 22.84 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.621 ' HG2' ' CB ' ' A' ' 52' ' ' LYS . 10.2 Cg_endo -54.34 144.66 59.84 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.65 2.234 . . . . 0.0 112.114 174.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 9' ' ' VAL . 84.7 mt -56.31 -40.54 74.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.576 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -71.94 -21.46 61.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 111.091 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.621 ' CB ' ' HG2' ' A' ' 49' ' ' PRO . 85.6 tttt -90.71 -17.36 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.239 -178.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.93 128.63 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.432 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 10.3 mt-30 -110.46 149.13 39.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.897 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.83 -23.99 78.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.591 2.194 . . . . 0.0 111.683 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.42 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.566 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 5.3 m-20 -70.64 -38.65 73.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.053 178.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.535 HD12 ' HB2' ' A' ' 99' ' ' PRO . 58.0 mt -67.02 -39.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.326 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -51.12 69.72 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 173.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -54.65 -47.39 73.58 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.822 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 2.5 tm? -58.02 -40.54 81.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.35 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.675 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 16.0 m-30 -65.02 -46.83 79.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.771 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.08 96.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.168 0.509 . . . . 0.0 110.753 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.44 67.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.615 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.675 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 52.1 mtmt -75.99 -45.24 35.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 175.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.97 -33.71 76.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.912 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.87 -32.25 70.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.077 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.4 t -79.57 -14.03 59.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.583 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.49 31.12 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 65' ' ' LYS . 21.4 mt -83.63 134.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.72 0.295 . . . . 0.0 110.755 177.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 15.8 m -62.42 135.89 95.56 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.664 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 51.3 Cg_exo -54.07 -30.79 61.61 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.168 2.579 . . . . 0.0 112.888 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -61.9 -50.2 73.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 0.0 111.106 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -69.64 -28.42 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.427 HG13 ' HE3' ' A' ' 65' ' ' LYS . 87.4 t -60.7 -38.79 79.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.296 174.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 25.2 mtt180 -71.49 -33.23 69.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.22 -47.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.074 0.464 . . . . 0.0 110.203 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.509 ' HA ' HG12 ' A' ' 81' ' ' VAL . 75.4 mt -61.62 -29.25 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.819 176.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 76' ' ' ARG . 10.7 t-80 -64.95 -52.04 58.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.761 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.24 -36.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.8 p -65.45 -38.13 81.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.523 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -70.95 -41.16 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -58.21 -46.76 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.325 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.9 -18.05 51.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.511 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.94 -33.26 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.202 0.525 . . . . 0.0 110.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mtp -84.44 -6.39 59.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.585 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 73.7 m -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.711 ' HG2' ' HE1' ' A' ' 16' ' ' TRP . 26.0 mp0 -62.82 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.621 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -64.05 -36.16 83.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -71.31 -45.32 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.305 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 87' ' ' SER . 66.5 mm-40 -59.88 -40.04 87.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -68.97 -18.49 64.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 23.52 65.26 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.734 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.621 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -95.11 -7.46 39.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.138 0.494 . . . . 0.0 110.434 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' HG ' ' H ' ' A' ' 96' ' ' LEU . 15.2 tp -113.28 -131.87 0.32 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.2 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.518 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 63.5 tp -164.06 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.278 0.561 . . . . 0.0 110.391 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -134.5 -172.29 2.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.896 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.543 ' OD1' ' HG2' ' A' ' 101' ' ' GLU . 19.2 t-20 -112.89 98.15 44.24 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.535 ' HB2' HD12 ' A' ' 58' ' ' ILE . 6.5 Cg_exo -72.25 -13.67 28.3 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.892 -169.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 p -74.99 -32.75 61.75 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.364 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG2' ' OD1' ' A' ' 98' ' ' ASN . 5.7 mm-40 -85.51 -18.49 33.34 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.911 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.0 -12.85 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.49 152.8 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.657 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.636 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.256 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.65 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 4.3 m . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.683 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.9 t -56.36 -53.91 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.652 0.263 . . . . 0.0 111.461 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.65 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -67.19 -23.12 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.541 -177.216 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -53.59 49.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -71.5 -36.92 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 109.982 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.5 -45.35 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.924 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.1 t90 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.186 176.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.55 ' O ' HG22 ' A' ' 36' ' ' VAL . 43.3 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.623 0.249 . . . . 0.0 110.765 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CD2' HG23 ' A' ' 81' ' ' VAL . 33.3 m-85 -52.4 -38.63 59.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.7 -50.85 55.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.454 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 m -68.26 -52.01 38.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.408 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 32' ' ' SER . 34.7 m -67.0 -33.56 64.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' VAL . 21.0 tp -65.14 -62.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -178.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.582 ' HG3' ' N ' ' A' ' 39' ' ' LEU . 8.4 ptp180 -53.86 -45.95 71.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.115 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.582 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 31.7 tp -64.89 -39.3 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.98 -171.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -100.59 -40.77 7.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -171.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 37' ' ' LEU . 2.8 m -90.83 -32.61 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -169.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.57 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 42.0 mt -67.25 -47.99 48.53 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -173.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 14.7 Cg_endo -57.07 -42.37 64.62 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.22 1.946 . . . . 0.0 113.931 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 t -105.38 -46.41 4.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' HG ' HD12 ' A' ' 61' ' ' LEU . 1.2 tm? -84.61 -31.27 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.204 0.526 . . . . 0.0 109.905 -174.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.683 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -74.62 14.59 4.24 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.077 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.1 m -108.32 -0.81 20.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.459 . . . . 0.0 110.228 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 69.6 mt -113.15 125.38 29.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.211 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 52.4 Cg_exo -55.78 145.3 72.77 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.005 2.47 . . . . 0.0 112.562 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.14 -29.68 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -85.43 5.78 29.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -131.48 8.91 4.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.463 0.649 . . . . 0.0 109.971 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -82.2 122.44 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.582 -175.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -124.95 161.74 47.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.724 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.42 -29.39 58.65 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.94 2.427 . . . . 0.0 113.002 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.71 80.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 60' ' ' ARG . 21.3 m-20 -69.64 -36.48 76.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.46 -34.69 63.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.3 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.447 HE21 ' HB3' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -60.39 -41.32 93.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.371 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 18.7 ttt85 -59.93 -39.79 86.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.79 177.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD11 HG12 ' A' ' 41' ' ' VAL . 3.2 tt -53.93 -60.53 3.21 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.486 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 23.5 m-85 -61.9 -44.44 96.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.333 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 t -63.67 -39.69 94.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -177.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 57.4 mmtt -88.7 -25.43 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.05 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.03 -18.23 63.11 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -7.05 55.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.171 0.51 . . . . 0.0 110.461 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.18 62.67 0.7 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.774 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 65' ' ' LYS . 57.6 mt -99.35 139.33 35.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.02 0.438 . . . . 0.0 111.369 176.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.4 m -74.51 156.97 86.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.923 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.04 -46.01 36.48 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.598 2.199 . . . . 0.0 112.033 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.436 ' HA ' ' HB3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -68.36 -28.82 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.463 179.345 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.574 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.4 mmt85 -65.29 -50.9 63.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.49 -40.85 85.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 109.952 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HB3' ' HA ' ' A' ' 73' ' ' THR . 44.0 ttt180 -56.19 -48.49 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.217 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.58 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 74' ' ' ARG . 61.7 mt -63.8 -35.43 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.029 176.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.486 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.2 t-80 -64.2 -38.33 90.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.093 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 76' ' ' ARG . 93.6 t -71.96 -50.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.385 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.0 p -62.73 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.184 -177.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.4 tp -68.51 -42.19 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.371 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -59.93 -38.01 81.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.542 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -70.1 -55.98 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.547 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.32 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.936 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.0 ttm -68.74 -27.97 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.352 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.3 p -69.32 -27.25 65.21 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.786 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.29 -30.98 72.01 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.87 0.367 . . . . 0.0 110.202 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -67.38 -37.99 84.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 110.033 176.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 69.9 ttt180 -66.85 -45.64 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.14 -29.36 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.784 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -68.59 -25.7 65.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.93 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.62 -0.65 55.49 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.909 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.707 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.1 pp -87.77 -11.66 47.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.365 0.602 . . . . 0.0 109.789 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 39.4 tp -136.53 132.78 35.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.81 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.4 pt? -99.46 -18.35 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.904 0.383 . . . . 0.0 111.477 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -116.79 160.44 20.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -120.35 94.84 48.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.95 -9.82 11.76 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.531 2.154 . . . . 0.0 112.635 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 m -70.64 -27.75 64.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.692 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.57 -26.84 60.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.72 2.93 43.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.792 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.48 107.65 18.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.655 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.0 pttt . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.159 -175.756 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.48 122.47 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -67.85 116.52 39.09 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.23 143.84 60.39 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.341 2.694 . . . . 0.0 112.719 -176.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p 50.89 91.35 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 124.089 0.868 . . . . 0.0 112.139 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -99.68 -39.03 8.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.821 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 tt -113.1 106.24 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.668 0.747 . . . . 0.0 110.786 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 45.7 p -123.58 177.0 5.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.282 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.823 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 86.1 t -59.21 -47.12 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.245 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -26.39 65.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.628 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.57 -42.18 95.8 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 121.074 0.464 . . . . 0.0 109.914 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.473 ' HH2' ' HB2' ' A' ' 88' ' ' GLN . 63.3 t90 -72.76 -42.81 63.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.059 177.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 9' ' ' VAL . 79.0 mt -56.77 -52.82 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -63.88 -33.37 75.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.747 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.34 -41.78 47.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.973 0.416 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -60.83 -42.64 98.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.127 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.06 -45.86 93.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.851 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.0 m -56.58 -32.79 65.56 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.05 0.452 . . . . 0.0 111.353 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.24 -55.75 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.956 0.408 . . . . 0.0 111.668 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -87.95 5.57 40.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -168.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.07 -1.97 53.58 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.469 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -68.3 145.24 97.31 Favored Pre-proline 0 C--O 1.236 0.345 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.512 ' HA ' ' O ' ' A' ' 117' ' ' HIS . 6.5 Cg_endo -48.32 119.75 4.37 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.892 3.061 . . . . 0.0 113.684 -174.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -132.99 160.05 38.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.719 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HA ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -107.65 92.93 4.28 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.947 0.403 . . . . 0.0 111.456 -173.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.1 ttm-85 -172.09 100.17 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.434 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 65.71 112.06 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 124.219 0.95 . . . . 0.0 112.902 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -76.09 85.08 2.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.269 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.663 ' HB ' ' O ' ' A' ' 115' ' ' HIS . 7.0 m -98.3 161.69 13.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.702 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -77.36 -177.72 4.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.258 0.551 . . . . 0.0 111.169 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.67 6.67 44.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.608 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 m -56.75 -37.85 71.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.928 -173.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.89 -32.16 73.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.886 0.374 . . . . 0.0 110.479 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 18.5 tt0 -77.07 -50.86 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.185 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.2 m -53.98 -55.88 23.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.136 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.28 -37.36 77.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.907 0.384 . . . . 0.0 111.021 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' VAL . 28.4 tp -65.2 -65.35 0.68 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.436 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 46.5 ptt85 -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.419 -174.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.96 -37.59 82.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.321 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -97.13 -49.05 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' LEU . 7.8 p -86.56 -28.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -169.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.537 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 26.2 mt -64.77 -53.07 46.31 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.954 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 10.9 Cg_exo -71.58 -3.9 13.97 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.916 1.744 . . . . 0.0 112.93 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.1 p -108.07 -67.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.989 0.423 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.464 HD13 HD21 ' A' ' 53' ' ' LEU . 60.8 mt -110.6 -7.79 14.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -174.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.823 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.06 -29.57 74.79 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 113.177 -175.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -86.24 15.68 5.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.186 0.517 . . . . 0.0 111.239 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 9' ' ' VAL . 66.5 mt -115.89 139.1 24.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.607 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 25.3 Cg_endo -64.35 144.2 85.15 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.007 1.805 . . . . 0.0 111.971 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 95' ' ' LEU . 52.1 mt -62.73 -31.34 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.1 -4.25 49.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.788 0.328 . . . . 0.0 111.782 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.607 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 61.3 tttp -116.42 -12.57 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.455 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.493 HD11 HG13 ' A' ' 58' ' ' ILE . 3.2 tm? -68.12 119.12 12.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.98 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.62 146.9 38.26 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.931 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.43 -26.95 80.06 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.703 2.269 . . . . 0.0 111.67 174.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.28 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.734 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.38 -39.29 85.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.493 HG13 HD11 ' A' ' 53' ' ' LEU . 69.4 mt -65.46 -43.27 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -62.23 -44.54 96.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -61.7 -36.77 81.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.998 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.38 -48.35 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 79' ' ' HIS . 23.4 m-85 -61.41 -44.91 96.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.227 0.537 . . . . 0.0 110.949 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 67' ' ' GLU . . . -71.28 -49.68 40.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.017 -175.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -67.32 -34.82 78.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.416 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.906 ' HB3' HD12 ' A' ' 70' ' ' LEU . 29.9 mmtm -77.65 -23.1 49.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.281 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.78 -42.99 90.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 63' ' ' ALA . 7.0 mm-40 -63.96 -25.46 68.15 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.489 175.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -78.71 -8.27 58.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.423 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.06 22.83 7.69 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.63 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.906 HD12 ' HB3' ' A' ' 65' ' ' LYS . 42.2 mt -85.85 142.6 28.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.032 0.416 . . . . 0.0 110.182 175.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.4 m -71.99 138.4 82.21 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.112 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -37.95 82.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.253 2.635 . . . . 0.0 112.841 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 8.1 m -69.21 -37.85 78.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.208 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 78' ' ' ILE . 12.0 ttp85 -76.81 -33.61 57.98 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -177.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.45 -37.04 78.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.502 0.668 . . . . 0.0 109.241 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 73' ' ' THR . 44.5 ttm180 -61.45 -37.75 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.497 177.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -67.62 -44.57 77.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.646 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 74' ' ' ARG . 80.4 mt -57.81 -36.86 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 110.379 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.437 ' HA ' ' CE1' ' A' ' 62' ' ' TYR . 2.5 t60 -54.04 -51.45 63.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.868 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.624 HG11 ' HD2' ' A' ' 108' ' ' HIS . 30.0 m -79.63 -36.66 17.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.18 -37.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.191 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.16 -42.05 94.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.959 0.409 . . . . 0.0 109.928 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.457 ' HD2' ' OG1' ' A' ' 100' ' ' THR . 37.7 t-80 -57.71 -59.66 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.313 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.43 -18.12 58.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -171.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.82 56.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.63 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 49.4 ttm -69.06 -28.57 66.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.704 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 49.3 m -63.29 -22.36 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.127 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB2' ' HH2' ' A' ' 12' ' ' TRP . 14.8 mm100 -70.57 -28.48 64.92 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.728 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -75.84 -34.23 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.507 0.67 . . . . 0.0 109.736 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.191 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.55 -3.82 45.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.146 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -91.5 -7.29 50.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.053 0.454 . . . . 0.0 109.828 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.79 7.88 88.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.104 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.728 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.5 pp -100.22 -10.68 21.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 110.242 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 50' ' ' LEU . 47.6 tp -123.48 129.15 50.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.193 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.804 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.2 pt? -79.23 -36.58 39.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -150.46 147.62 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -78.85 114.35 43.22 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.63 ' HD2' ' SD ' ' A' ' 86' ' ' MET . 24.3 Cg_exo -63.94 -16.52 55.34 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.796 2.33 . . . . 0.0 111.847 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.457 ' OG1' ' HD2' ' A' ' 83' ' ' HIS . 34.4 p -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.5 -19.32 49.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.894 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.2 -0.13 30.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.723 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.583 ' O ' ' HD3' ' A' ' 105' ' ' PRO . . . -88.5 174.58 8.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.55 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.432 ' NZ ' ' HB3' ' A' ' 104' ' ' LYS . 8.1 mtpm? -112.36 81.79 4.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.888 0.375 . . . . 0.0 110.221 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 103' ' ' ALA . 84.7 Cg_endo -100.86 163.78 0.4 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.53 2.82 . . . . 0.0 113.15 -176.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.21 141.82 96.87 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.514 2.142 . . . . 0.0 111.528 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 107' ' ' ARG . 16.7 ttp180 -78.71 116.79 19.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -175.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.624 ' HD2' HG11 ' A' ' 80' ' ' VAL . 81.9 t60 -166.69 123.93 0.99 Allowed Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.709 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.43 165.68 26.24 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.675 2.25 . . . . 0.0 111.835 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.49 ' H ' HD22 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -87.03 130.66 34.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.668 -175.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -78.49 -10.37 59.69 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.238 0.542 . . . . 0.0 109.771 169.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 51.6 m80 74.71 174.78 0.25 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.232 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -68.77 95.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.826 -167.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.412 ' HB3' HG21 ' A' ' 29' ' ' THR . 91.4 m-70 -90.35 102.85 15.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 166.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.663 ' O ' ' HB ' ' A' ' 29' ' ' THR . 11.5 t-160 -87.59 -106.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -166.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 115' ' ' HIS . 53.5 t-80 164.64 163.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -164.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' A' ' 23' ' ' PRO . 44.5 m170 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.735 171.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 121.029 0.442 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.6 mt -108.21 107.58 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 121.962 -0.462 . . . . 0.0 111.253 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 18.7 tp10 -91.39 113.8 59.65 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 7.5 Cg_exo -72.48 66.13 3.7 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.27 2.646 . . . . 0.0 113.167 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -171.4 142.05 1.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -104.43 -4.03 23.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.192 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 7' ' ' ILE . 38.6 pt 43.57 102.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.919 1.288 . . . . 0.0 114.317 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 p -78.29 -176.36 4.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.402 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 48' ' ' ILE . 59.8 t -50.01 -48.87 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.876 0.369 . . . . 0.0 111.602 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -59.0 -42.9 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.477 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -77.05 -36.45 55.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -63.71 -51.16 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' O ' HD13 ' A' ' 17' ' ' LEU . 96.0 mt -55.01 -49.89 70.4 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.932 0.396 . . . . 0.0 110.497 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -56.59 -49.04 76.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.603 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -70.16 -49.79 46.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.772 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -58.46 -47.17 84.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.11 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 13' ' ' LEU . 6.8 mp -57.59 -47.32 82.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.958 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 m -74.84 -28.56 60.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.365 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -81.47 -44.26 17.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.812 0.339 . . . . 0.0 111.19 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -89.89 -2.49 58.2 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.01 -73.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.908 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 66.3 mttp 59.86 92.66 0.06 OUTLIER Pre-proline 0 C--O 1.233 0.222 0 O-C-N 123.774 0.672 . . . . 0.0 111.283 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 15.9 Cg_endo -57.12 122.47 11.88 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 123.397 2.731 . . . . 0.0 112.472 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -146.47 -60.64 0.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.308 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.71 164.6 18.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.117 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 26' ' ' ARG . 49.0 mtm180 -74.79 171.53 13.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.932 0.396 . . . . 0.0 111.367 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -52.48 126.76 20.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -171.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -148.02 36.82 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.769 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 t -96.71 145.43 25.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.399 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.448 ' HB3' ' HE1' ' A' ' 33' ' ' TYR . 7.0 t90 -103.68 -35.72 8.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 174.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 70.71 -10.02 0.76 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.725 169.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 36' ' ' VAL . 37.1 p -64.76 -40.48 95.36 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 122.337 -0.227 . . . . 0.0 110.784 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HA ' HG21 ' A' ' 81' ' ' VAL . 21.5 m-85 -48.33 -53.38 17.63 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 124.05 0.844 . . . . 0.0 110.393 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 24.7 tt0 -67.31 -49.62 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.958 -176.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.1 m -52.46 -55.39 22.23 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.041 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 32' ' ' SER . 26.9 m -64.73 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.606 ' O ' HG12 ' A' ' 41' ' ' VAL . 76.8 mt -69.33 -64.27 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.546 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 45.6 ptt85 -56.98 -40.79 77.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.8 -175.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.75 -50.11 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.932 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -101.37 -39.81 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -171.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 37' ' ' LEU . 4.0 p -93.68 -22.32 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.056 -171.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.632 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -71.67 -44.46 12.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 52.2 Cg_exo -55.88 -34.08 90.55 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.884 1.723 . . . . 0.0 113.658 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.419 HG23 HD13 ' A' ' 45' ' ' LEU . 5.2 t -108.05 -43.23 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.658 ' HG ' HD12 ' A' ' 48' ' ' ILE . 10.6 mp -106.17 -6.24 18.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.481 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.5 -21.54 77.61 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.113 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 p -88.79 5.7 42.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.658 HD12 ' HG ' ' A' ' 45' ' ' LEU . 64.1 mt -96.28 131.62 28.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.405 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 52' ' ' LYS . 30.9 Cg_endo -66.18 139.58 55.93 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.456 2.104 . . . . 0.0 111.294 174.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 9' ' ' VAL . 96.0 mt -54.2 -33.25 57.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -176.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.01 2.61 45.69 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 4.0 ttpt -107.93 -17.77 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.741 HD11 HD11 ' A' ' 58' ' ' ILE . 3.0 tm? -51.5 111.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.319 -172.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 97.3 mt-30 -107.62 153.93 41.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.266 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.18 -27.89 85.81 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.476 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.6 93.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.388 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -63.09 -41.52 99.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.841 0.353 . . . . 0.0 110.246 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.741 HD11 HD11 ' A' ' 53' ' ' LEU . 19.3 mt -65.29 -48.26 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.82 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.38 -44.4 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.802 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -63.57 -37.26 86.66 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.03 -51.03 67.57 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.522 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 58' ' ' ILE . 25.1 m-85 -62.78 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.339 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -56.26 23.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.66 0.6 . . . . 0.0 111.451 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m -69.98 -26.25 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.078 0.466 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.612 ' HG2' HD12 ' A' ' 70' ' ' LEU . 23.2 ttpp -74.81 -24.13 58.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.183 0.516 . . . . 0.0 110.168 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.54 -39.46 64.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.27 -15.23 63.04 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.969 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.8 t -74.1 -17.64 60.92 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.241 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.21 35.81 3.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.838 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD12 ' HG2' ' A' ' 65' ' ' LYS . 14.0 mt -99.87 138.0 37.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.743 0.271 . . . . 0.0 111.04 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 75' ' ' VAL . 46.9 t -63.79 136.92 96.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.2 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.03 -25.47 44.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.408 2.739 . . . . 0.0 112.626 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -62.58 -48.45 79.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -74.74 -27.35 60.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.852 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 71' ' ' SER . 97.1 t -63.46 -41.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.978 175.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -67.11 -38.26 85.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.362 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.89 -47.47 80.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.836 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.59 ' HA ' HG12 ' A' ' 81' ' ' VAL . 80.7 mt -59.7 -34.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.552 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 27.5 t-80 -65.07 -40.33 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.065 0.46 . . . . 0.0 110.363 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -72.95 -46.61 51.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.6 p -66.65 -39.95 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.097 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.37 -40.58 97.63 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 87' ' ' SER . 33.6 t60 -55.95 -52.07 65.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.584 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.45 -46.47 82.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.31 81.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.409 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 44.8 ttm -71.42 -26.7 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 83' ' ' HIS . 23.0 t -57.84 -30.62 65.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 177.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -64.2 -39.7 94.54 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.5 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 25.8 ttp-105 -65.5 -49.38 69.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.054 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -79.22 7.98 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.437 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -111.68 2.82 17.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.44 174.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.13 13.33 82.16 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.288 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.21 -27.96 18.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.308 0.575 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 34.0 tp -131.73 122.13 25.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.054 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.798 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.4 pt? -80.41 -10.69 59.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.976 -174.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -132.47 170.74 14.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -173.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -120.22 95.21 49.05 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.529 ' HG2' HD12 ' A' ' 53' ' ' LEU . 2.0 Cg_endo -83.74 -12.25 8.75 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.248 2.632 . . . . 0.0 112.975 -174.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -37.76 88.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.934 0.397 . . . . 0.0 111.331 -176.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -33.13 61.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.92 -23.62 64.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.212 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.41 93.65 9.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.842 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -71.89 125.22 91.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.844 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.11 174.22 12.79 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 123.07 2.513 . . . . 0.0 112.347 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.417 ' HG2' HG11 ' A' ' 75' ' ' VAL . 74.7 Cg_exo -51.66 162.03 1.81 Allowed 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.958 2.439 . . . . 0.0 113.317 177.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -67.19 150.85 48.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.284 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.534 ' HE1' ' HG3' ' A' ' 111' ' ' GLU . 18.0 t-80 -97.86 105.07 24.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.894 -177.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.438 ' HB2' HD22 ' A' ' 110' ' ' LEU . 9.0 Cg_exo -71.32 -80.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.13 2.553 . . . . 0.0 113.326 -174.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 109' ' ' PRO . 3.4 mm? -78.46 148.93 33.34 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.686 ' HG2' ' H ' ' A' ' 112' ' ' HIS . 24.4 tt0 -143.51 174.84 10.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.668 -175.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.686 ' H ' ' HG2' ' A' ' 111' ' ' GLU . 3.2 t-160 75.98 -58.28 0.54 Allowed 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.149 0.979 . . . . 0.0 111.347 174.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -91.09 111.84 23.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 109.924 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -73.04 156.79 38.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.3 95.16 5.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -76.11 -19.94 58.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 . . . . . 0 C--O 1.246 0.907 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.103 176.77 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.707 0.289 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.4 mt -112.02 -60.47 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -115.82 101.2 54.09 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.452 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.48 ' HG3' ' HB2' ' A' ' 52' ' ' LYS . 22.1 Cg_endo -61.93 -34.64 80.92 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.835 2.357 . . . . 0.0 112.792 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -159.34 171.46 19.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.232 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 39.5 mtpt -99.08 -13.69 19.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.983 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 pt -67.96 86.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.365 0.603 . . . . 0.0 110.813 176.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 31.2 p -84.01 164.56 19.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.043 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.581 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 98.0 t -61.52 -48.03 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.451 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.3 -36.04 76.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -67.6 -45.37 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.594 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -71.36 -47.08 58.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.96 -52.18 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.15 -43.57 98.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.898 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.1 ttm-85 -64.51 -43.39 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.613 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -58.52 -49.36 77.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.013 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 8.0 mp -62.27 -31.52 72.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.248 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.4 m -66.47 -48.83 68.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.82 -46.14 22.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 111.104 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -82.61 6.37 17.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.76 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -53.17 -56.04 19.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 123.223 0.327 . . . . 0.0 110.738 174.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tptt 55.82 92.88 0.06 OUTLIER Pre-proline 0 C--O 1.226 -0.18 0 O-C-N 124.223 0.952 . . . . 0.0 110.389 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -34.26 -66.04 0.11 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.728 2.952 . . . . 0.0 112.866 -176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 66.46 143.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.923 0.868 . . . . 0.0 112.775 168.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mp -97.76 133.89 41.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.07 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 76.41 175.28 0.21 Allowed 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.052 0.845 . . . . 0.0 111.804 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 70.6 93.74 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.642 173.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -95.63 -10.06 30.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.113 174.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 m -58.89 -33.68 70.8 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.603 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -68.18 -27.25 66.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.46 -12.91 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.071 0.462 . . . . 0.0 111.092 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.8 m -66.53 -36.17 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.935 175.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.04 -47.51 79.92 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.14 -42.63 81.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.216 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.3 m -72.24 -47.41 50.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.388 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.478 ' O ' ' HD2' ' A' ' 40' ' ' HIS . 27.8 m -65.95 -39.63 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.269 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 41' ' ' VAL . 93.4 mt -60.55 -54.75 41.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -47.9 -55.29 10.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.136 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 tp -61.54 -36.22 79.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.384 -170.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.544 ' CE1' ' HB ' ' A' ' 41' ' ' VAL . 4.9 p80 -98.3 -40.43 8.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -169.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.0 p -102.4 -30.19 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.97 -55.49 40.68 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.988 -175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.71 -11.14 29.14 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.888 1.726 . . . . 0.0 113.093 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -101.69 -66.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 111.764 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -112.23 4.91 18.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -171.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.581 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -61.91 -37.45 94.38 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.142 -176.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -79.77 -0.41 34.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.176 0.512 . . . . 0.0 110.648 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 9' ' ' VAL . 50.8 mt -92.61 134.67 27.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.694 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.687 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.8 Cg_exo -63.3 143.75 89.87 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.711 2.274 . . . . 0.0 112.095 176.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.22 -28.12 62.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.892 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 32.8 mmtp -76.47 -16.75 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HB2' ' HG3' ' A' ' 4' ' ' PRO . 7.0 tmtm? -103.97 -3.93 24.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.556 . . . . 0.0 110.145 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -74.23 102.1 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.656 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -101.67 161.08 24.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.471 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.678 ' HG3' ' HA ' ' A' ' 99' ' ' PRO . 32.7 Cg_exo -60.89 -30.01 89.21 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.411 2.074 . . . . 0.0 111.376 173.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.41 87.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.15 -40.43 90.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.032 0.444 . . . . 0.0 110.107 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.634 HD11 HD11 ' A' ' 53' ' ' LEU . 62.1 mt -66.59 -42.68 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.916 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.15 -37.84 88.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.975 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 60' ' ' ARG . 32.0 ttt180 -63.44 -42.13 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.272 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 61' ' ' LEU . 5.6 tt -48.05 -59.31 3.47 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.881 0.738 . . . . 0.0 109.904 176.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 15.2 m-85 -57.72 -54.43 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.44 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.471 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.2 m -65.45 -49.86 67.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.567 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HG2' ' HG ' ' A' ' 70' ' ' LEU . 77.6 tttt -79.06 -22.76 44.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.035 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 52.5 tp -59.22 -45.66 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 172.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.94 -23.57 67.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.164 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.7 t -76.61 -47.61 21.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.981 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.46 53.98 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.267 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.765 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 36.4 mt -99.02 133.51 43.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.595 -0.356 . . . . 0.0 110.338 174.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 m -68.05 143.33 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.01 -35.67 72.78 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.713 2.275 . . . . 0.0 112.256 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.4 p -66.69 -41.72 87.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.984 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -63.41 -37.73 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.652 HG21 HD13 ' A' ' 66' ' ' LEU . 59.3 t -59.7 -41.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 123.369 0.418 . . . . 0.0 110.275 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -72.94 -38.3 66.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.603 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HA ' HG12 ' A' ' 80' ' ' VAL . 41.6 t80 -64.91 -50.76 65.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.3 mt -57.93 -34.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.622 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.491 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 36.2 t-80 -70.01 -49.07 55.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.267 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 77' ' ' TYR . 11.3 p -69.86 -37.61 73.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.387 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.05 -33.59 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.303 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.478 HD22 ' HE1' ' A' ' 40' ' ' HIS . 35.4 tp -72.21 -39.23 68.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -64.4 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -80.69 -50.85 9.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.028 0.442 . . . . 0.0 111.004 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.64 15.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -171.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.6 tpt -75.5 -29.3 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.596 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -67.79 -17.1 64.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 110.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.82 -20.91 64.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.58 75.68 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 90' ' ' ARG . 25.1 ttt180 -66.91 -43.86 82.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.895 175.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.35 -18.22 60.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -73.76 -12.12 60.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.575 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.11 -5.28 57.65 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.655 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.428 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 3.6 mm? -75.76 -48.3 22.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.21 149.49 35.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.637 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.1 pt? -100.94 -30.52 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.386 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.572 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 77.8 mt-30 -103.01 167.9 9.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.321 . . . . 0.0 110.938 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -115.57 94.72 41.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.907 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.678 ' HA ' ' HG3' ' A' ' 55' ' ' PRO . 7.1 Cg_exo -74.31 -22.71 16.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.913 2.409 . . . . 0.0 112.572 -176.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.9 p -69.85 -35.18 74.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.276 -176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.53 -35.44 60.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.27 8.26 31.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.884 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.54 90.41 8.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.312 0.577 . . . . 0.0 109.468 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -133.82 136.42 26.51 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.332 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 34.6 Cg_endo -67.05 110.71 2.03 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.268 1.979 . . . . 0.0 111.582 174.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 4.4 Cg_exo -78.44 -38.8 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.884 2.389 . . . . 0.0 113.12 -174.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 48.86 67.96 0.78 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.688 0.618 . . . . 0.0 110.642 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -138.88 139.76 24.86 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.261 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -57.54 -32.82 95.33 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.142 2.561 . . . . 0.0 111.667 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 mt -81.79 105.21 12.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.924 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -86.43 83.06 7.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.534 -175.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.0 m80 67.27 171.7 0.26 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.209 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -126.7 96.27 4.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.883 0.373 . . . . 0.0 110.217 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -75.8 129.95 37.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.684 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -84.08 177.41 8.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.93 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -60.96 -65.68 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.952 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 52.2 t60 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.709 179.608 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.833 0.349 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -104.36 -27.63 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.313 0.578 . . . . 0.0 109.445 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -83.46 124.21 75.9 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.417 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.24 94.13 0.24 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.639 2.226 . . . . 0.0 112.121 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -69.73 102.32 1.88 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.77 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -87.45 98.77 11.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.651 0.739 . . . . 0.0 109.33 173.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.465 HG21 ' HB3' ' A' ' 12' ' ' TRP . 47.2 mm -95.28 107.89 20.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.744 -173.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.579 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 32.8 p -77.33 167.93 20.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.169 176.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.776 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 48.8 t -56.31 -45.74 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 123.179 0.299 . . . . 0.0 111.405 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HB3' HG13 ' A' ' 42' ' ' ILE . 13.5 pt-20 -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -65.81 -52.24 52.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.446 -174.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.619 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 69.0 p-90 -77.37 -35.43 54.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.059 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.05 -39.2 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.471 0.177 . . . . 0.0 111.413 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -59.07 -46.74 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 0.0 110.481 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -80.87 -28.07 36.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.532 ' HZ2' ' HG2' ' A' ' 88' ' ' GLN . 89.6 t90 -57.69 -53.56 56.83 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.512 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.528 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.4 pp -64.93 -26.9 68.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.67 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.6 m -64.8 -37.61 88.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.018 0.437 . . . . 0.0 110.628 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -96.78 -50.75 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -96.47 6.22 49.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -166.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -55.42 -42.02 73.59 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 67.7 159.68 0.14 Allowed Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 123.543 0.527 . . . . 0.0 110.997 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.0 89.18 1.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.09 1.86 . . . . 0.0 111.339 172.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -80.3 144.85 32.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.285 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.73 HD23 ' H ' ' A' ' 25' ' ' LEU . 1.8 pt? -104.95 175.36 5.52 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 68.67 164.49 0.24 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.485 0.49 . . . . 0.0 110.126 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 112' ' ' HIS . 3.9 pt20 -164.56 160.49 20.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -171.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.648 ' O ' ' HB ' ' A' ' 29' ' ' THR . 10.6 p -102.16 -79.26 0.52 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 160.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.648 ' HB ' ' O ' ' A' ' 28' ' ' SER . 5.9 t 164.33 -32.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 124.101 0.876 . . . . 0.0 110.27 167.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -82.88 156.32 23.63 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.908 0.385 . . . . 0.0 111.408 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 mp0 -91.27 81.53 5.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.7 m -93.05 -46.32 7.51 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.415 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -44.28 -60.86 1.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.335 1.022 . . . . 0.0 113.115 -169.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -72.26 -37.36 69.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.606 0.241 . . . . 0.0 111.553 -173.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 m -66.6 -47.39 72.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.712 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 32' ' ' SER . 27.0 m -65.7 -39.71 85.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -174.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.44 -56.34 10.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.2 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.535 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 20.7 tpt180 -47.5 -65.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.131 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.7 tp -52.93 -42.85 65.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.915 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -99.58 -56.33 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 20.9 m -96.37 -14.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -168.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.3 mp -68.83 -48.07 30.71 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 118.624 0.647 . . . . 0.0 112.301 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 8.1 Cg_exo -73.41 -9.59 23.14 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.861 1.707 . . . . 0.0 112.54 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 41' ' ' VAL . 10.9 p -107.35 -67.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.845 0.355 . . . . 0.0 111.735 -177.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -97.62 -29.24 13.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.776 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -66.69 -21.27 70.89 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.797 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -84.46 -3.89 58.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.056 0.455 . . . . 0.0 110.465 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -103.95 133.44 20.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.107 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.82 145.45 96.48 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.321 2.014 . . . . 0.0 111.509 173.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.515 HD22 HD21 ' A' ' 95' ' ' LEU . 94.6 mt -64.45 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.518 . . . . 0.0 111.338 -175.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -75.39 -1.57 24.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.276 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -124.36 -14.69 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -64.38 122.6 17.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -106.2 154.55 39.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HA ' HD12 ' A' ' 58' ' ' ILE . 33.6 Cg_endo -65.44 -27.8 54.46 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.389 2.059 . . . . 0.0 111.222 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.98 99.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.77 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.336 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 53' ' ' LEU . 79.3 mt -59.28 -56.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.791 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -65.26 -34.12 77.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.276 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -62.98 -42.85 99.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.715 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -49.89 70.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 24.3 m-85 -62.67 -47.07 85.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.968 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.0 89.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.891 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -65.67 -40.81 92.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.43 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 38.7 tptt -85.01 -18.95 32.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.984 0.421 . . . . 0.0 110.489 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.763 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 40.3 tp -66.6 -32.13 73.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.715 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.1 -40.94 91.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.133 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.84 -50.66 27.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.76 40.13 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 119.59 -1.29 . . . . 0.0 113.639 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.763 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 40.2 mt -100.37 164.84 11.75 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.474 -0.427 . . . . 0.0 109.992 172.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -108.2 151.57 41.47 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.3 -23.93 48.61 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.025 2.483 . . . . 0.0 112.965 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.4 p -81.2 -39.34 25.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.634 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.44 -35.94 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.844 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.59 -22.04 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.02 0.438 . . . . 0.0 110.205 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 80' ' ' VAL . 55.5 ttt85 -69.37 -44.23 71.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.32 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -57.71 -48.61 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.673 0.273 . . . . 0.0 110.498 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.06 -36.12 60.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.33 0.586 . . . . 0.0 110.121 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.59 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 1.9 t-80 -66.85 -39.34 87.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.535 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 76' ' ' ARG . 60.0 t -72.97 -48.46 44.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.02 -177.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.01 -38.2 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.2 tp -71.16 -32.72 69.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.257 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.609 ' HA ' ' HB ' ' A' ' 100' ' ' THR . 52.4 t60 -55.68 -50.64 69.74 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -71.06 -40.31 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.42 -52.62 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.584 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.9 mtt -71.02 -18.53 62.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.302 . . . . 0.0 111.35 -178.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -66.31 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.879 0.371 . . . . 0.0 110.384 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.532 ' HG2' ' HZ2' ' A' ' 16' ' ' TRP . 27.2 tp60 -75.02 -29.29 60.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.068 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.41 -33.3 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.238 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.89 -44.16 86.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.436 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.74 -42.08 96.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.753 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.0 t -67.0 -22.66 65.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.768 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.75 6.45 52.47 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.03 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.18 -36.04 71.81 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -113.91 115.06 27.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.404 172.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -70.37 -24.52 62.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.151 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.481 ' O ' ' HB3' ' A' ' 95' ' ' LEU . 11.0 pt20 -127.49 -179.27 4.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.417 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 101' ' ' GLU . 29.7 p-10 -114.52 95.36 39.81 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.628 0.728 . . . . 0.0 110.982 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.19 -30.81 6.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.755 2.303 . . . . 0.0 112.879 -175.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.609 ' HB ' ' HA ' ' A' ' 83' ' ' HIS . 12.9 p -73.39 -19.55 60.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.147 0.499 . . . . 0.0 111.175 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.404 ' HB3' ' ND2' ' A' ' 98' ' ' ASN . 3.8 tm-20 -95.45 -24.21 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.559 0.695 . . . . 0.0 109.24 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 55' ' ' PRO . . . -71.87 -12.67 61.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.5 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.9 176.33 7.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -65.64 139.21 97.0 Favored Pre-proline 0 N--CA 1.467 0.419 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.242 -171.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -43.78 107.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 124.938 3.759 . . . . 0.0 114.973 -170.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.485 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . 98.9 Cg_endo -93.53 -32.03 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.303 2.669 . . . . 0.0 113.585 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.883 ' HG2' ' H ' ' A' ' 108' ' ' HIS . 11.3 ttp180 68.22 -166.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -172.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.883 ' H ' ' HG2' ' A' ' 107' ' ' ARG . 33.1 p-80 -150.0 142.9 16.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.623 ' HD3' ' CG1' ' A' ' 80' ' ' VAL . 90.9 Cg_endo -102.44 -161.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 123.426 2.751 . . . . 0.0 112.094 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.85 114.39 28.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 148.53 36.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.157 0.504 . . . . 0.0 110.605 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.467 ' HB2' ' HA ' ' A' ' 27' ' ' GLN . 14.7 p-80 -93.15 152.17 19.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.309 -171.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 72.3 t60 -84.17 -85.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 167.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 17.8 t-80 173.46 157.09 0.12 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -53.93 133.93 43.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -72.32 77.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.744 0.307 . . . . 0.0 111.563 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.178 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.1 pt -57.75 134.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -127.64 91.46 45.48 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.978 0.418 . . . . 0.0 110.727 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -88.09 22.41 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 123.083 2.522 . . . . 0.0 111.327 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -62.58 -36.3 82.27 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.965 -177.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -126.25 124.64 40.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.214 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.422 HG22 HG23 ' A' ' 8' ' ' THR . 4.2 mp -117.41 -79.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.941 0.4 . . . . 0.0 110.3 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.422 HG23 HG22 ' A' ' 7' ' ' ILE . 14.7 p -122.39 167.5 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.177 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.484 HG12 HD23 ' A' ' 13' ' ' LEU . 57.3 t -61.55 -32.86 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.26 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' HG2' ' OG1' ' A' ' 8' ' ' THR . 13.1 pt-20 -61.07 -22.43 64.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.77 -53.69 54.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.457 ' HE1' HG13 ' A' ' 9' ' ' VAL . 19.7 p-90 -76.29 -24.89 54.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.726 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD23 HG12 ' A' ' 9' ' ' VAL . 1.7 mm? -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.782 0.325 . . . . 0.0 110.195 172.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.71 -48.02 83.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.709 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -63.95 -48.48 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.65 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -57.62 -60.48 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.096 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -59.98 -37.47 79.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.757 -175.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.1 m -71.28 -50.37 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.823 0.344 . . . . 0.0 111.2 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -72.07 -44.56 63.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.533 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -90.76 0.84 57.31 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -64.89 -43.62 92.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 170.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 tttm 62.48 94.81 0.05 OUTLIER Pre-proline 0 C--O 1.234 0.245 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.452 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.63 117.59 3.1 Favored 'Trans proline' 0 N--CA 1.474 0.355 0 C-N-CA 123.946 3.097 . . . . 0.0 114.505 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -149.95 -171.25 3.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.824 173.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.8 tp -71.66 114.09 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.001 0.429 . . . . 0.0 110.927 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -128.16 -44.26 1.44 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.233 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 65.83 18.82 11.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.058 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.0 p -146.92 152.16 38.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 0.0 111.47 -174.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -145.83 23.6 1.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.3 p90 -125.51 10.94 7.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.548 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.674 ' HG3' ' HE1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -58.79 115.49 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.461 0.648 . . . . 0.0 110.037 173.247 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 36' ' ' VAL . 16.6 m -67.83 -7.95 32.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -167.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.674 ' HE1' ' HG3' ' A' ' 31' ' ' GLU . 12.3 p90 -64.66 -30.85 71.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.294 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -42.24 20.4 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.92 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.7 m -58.52 -57.4 13.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.504 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' A' ' 77' ' ' TYR . 30.9 m -63.54 -31.03 51.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.722 0.296 . . . . 0.0 111.136 -176.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.615 ' O ' HG12 ' A' ' 41' ' ' VAL . 29.6 tp -64.31 -64.14 0.96 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.39 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.643 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 24.1 ptt85 -72.42 -36.25 68.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.84 -174.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.7 -38.02 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.586 0.231 . . . . 0.0 111.431 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -88.49 -55.22 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.9 p -93.79 -27.06 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -168.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.643 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.4 mp -66.55 -43.92 53.43 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 19.5 Cg_endo -60.51 -25.78 81.37 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.782 1.654 . . . . 0.0 113.137 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 t -108.18 -58.35 2.0 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.541 ' HB2' HG22 ' A' ' 41' ' ' VAL . 11.1 mp -88.43 -6.63 57.54 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.931 -0.481 . . . . 0.0 111.335 -176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.45 -16.03 71.12 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.214 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m -95.97 9.06 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 110.389 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.456 HD12 ' HG ' ' A' ' 45' ' ' LEU . 67.1 mt -111.7 121.26 40.35 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.856 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.85 134.58 65.41 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.545 2.163 . . . . 0.0 111.887 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.408 HD11 ' NE1' ' A' ' 12' ' ' TRP . 95.3 mt -55.01 -29.53 57.54 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -176.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 94' ' ' LEU . 12.4 mmmm -76.08 -16.13 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.593 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -109.53 -1.33 18.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.235 0.54 . . . . 0.0 109.806 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.508 HD21 HD23 ' A' ' 45' ' ' LEU . 3.3 tm? -69.77 116.75 10.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.521 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -106.73 152.52 40.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.18 -34.39 87.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.755 2.303 . . . . 0.0 112.12 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.63 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.174 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -70.63 -38.29 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.482 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 99' ' ' PRO . 64.1 mt -64.76 -42.69 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 0.0 110.052 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.87 -41.45 99.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.0 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 60' ' ' ARG . 23.0 ttt180 -63.12 -39.28 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.716 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD22 ' HD3' ' A' ' 65' ' ' LYS . 3.3 tm? -53.1 -46.63 68.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.939 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.466 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 26.1 m-85 -64.7 -49.57 70.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.402 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.67 85.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.89 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.4 m -64.25 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.515 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HD3' HD22 ' A' ' 61' ' ' LEU . 5.0 mptp? -80.92 -29.56 35.51 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.013 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.85 -36.96 80.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 109.884 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.25 -29.84 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.434 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -75.65 -10.57 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.041 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.9 48.33 1.09 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.438 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD23 HG22 ' A' ' 75' ' ' VAL . 34.9 tp -96.29 139.89 31.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.447 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 37.0 m -73.71 133.96 79.17 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.802 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 71' ' ' SER . 50.5 Cg_exo -54.58 -37.39 90.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.295 2.664 . . . . 0.0 112.931 -177.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -65.09 -40.2 94.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.219 0.533 . . . . 0.0 110.491 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.48 ' O ' HG13 ' A' ' 78' ' ' ILE . 18.2 ttm180 -66.56 -34.47 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.815 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.431 HG22 HD23 ' A' ' 70' ' ' LEU . 99.7 t -60.06 -41.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.19 175.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.4 -41.66 98.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.546 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.444 ' CE2' HG21 ' A' ' 36' ' ' VAL . 58.6 t80 -62.84 -47.4 83.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.968 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 74' ' ' ARG . 69.7 mt -57.56 -35.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.002 0.429 . . . . 0.0 110.518 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.466 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 51.0 t-80 -66.23 -40.8 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.242 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.96 -36.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.483 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.54 -35.45 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -69.72 -35.32 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.946 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.38 -40.16 85.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.972 176.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.4 -58.28 5.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.474 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.04 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 48.4 mtt -83.49 -4.71 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.032 -177.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -66.9 -45.18 78.75 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -71.2 -36.53 71.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.7 91.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.993 0.425 . . . . 0.0 110.417 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 95' ' ' LEU . 45.8 ttp180 -57.8 -55.79 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.403 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 32.0 mt-10 -79.26 9.73 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.398 -175.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.556 ' HB3' HD23 ' A' ' 94' ' ' LEU . 6.8 t -100.69 -9.33 21.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.38 0.26 56.91 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.457 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 92' ' ' SER . 4.2 mm? -80.11 -43.09 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.888 0.375 . . . . 0.0 110.455 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 90' ' ' ARG . 3.7 mm? -111.28 120.74 43.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.511 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.582 ' HG ' ' HG2' ' A' ' 97' ' ' GLN . 6.6 tp -69.05 -48.88 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.264 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.582 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 75.0 mm-40 -121.23 163.82 17.93 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.026 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.479 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 43.2 t-20 -87.95 110.01 32.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.506 ' HB2' HD12 ' A' ' 58' ' ' ILE . 5.8 Cg_exo -77.28 -15.8 15.79 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.898 2.399 . . . . 0.0 112.81 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -70.12 -33.38 71.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.648 0.261 . . . . 0.0 111.27 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -76.82 -26.68 54.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.147 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.77 -10.03 57.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.249 0.547 . . . . 0.0 110.816 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.51 93.52 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -118.93 117.45 33.7 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.688 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.83 161.65 31.79 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.766 2.311 . . . . 0.0 111.849 174.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.73 155.77 41.24 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.774 2.316 . . . . 0.0 111.772 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 66.28 -151.44 0.22 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.391 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -102.67 104.6 39.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.5 0.191 . . . . 0.0 111.242 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -78.43 -35.22 1.23 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.296 1.997 . . . . 0.0 111.396 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.9 mt -152.6 137.79 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.392 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -82.73 -17.05 45.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.168 0.508 . . . . 0.0 110.38 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -102.14 88.71 3.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.18 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -79.77 98.12 6.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.01 -144.96 0.59 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.295 -177.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -142.9 134.71 26.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.004 -0.435 . . . . 0.0 110.521 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -82.84 80.65 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.23 176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.3 t60 . . . . . 0 C--O 1.246 0.894 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.502 ' HG3' HG23 ' A' ' 2' ' ' ILE . 27.2 ptt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.496 0.188 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.502 HG23 ' HG3' ' A' ' 1' ' ' MET . 35.4 pt -98.88 152.93 4.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.394 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 56.8 68.21 2.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 123.667 0.604 . . . . 0.0 110.716 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.95 -8.72 9.01 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.973 2.449 . . . . 0.0 112.939 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -101.56 102.11 12.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 110.918 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -143.29 93.8 2.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.603 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.8 tt -151.36 106.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.426 0.631 . . . . 0.0 110.581 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.518 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 24.0 p -122.64 174.89 6.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.629 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 48' ' ' ILE . 64.6 t -54.27 -49.69 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.347 0.404 . . . . 0.0 111.818 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.97 -43.75 98.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.375 . . . . 0.0 111.301 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -71.46 -36.83 71.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -73.33 -50.09 23.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.56 -46.24 90.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.32 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.61 -44.82 85.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.479 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -70.2 -42.4 72.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.951 0.405 . . . . 0.0 110.386 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -57.34 -48.97 77.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.098 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.62 -29.03 67.45 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.329 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.1 m -68.36 -50.48 52.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.606 0.241 . . . . 0.0 111.5 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -82.36 -21.89 35.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.753 0.311 . . . . 0.0 111.439 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -100.66 6.68 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.577 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.48 -33.98 10.37 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -98.56 115.85 65.63 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 121.01 0.433 . . . . 0.0 111.239 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -89.38 35.51 0.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 123.212 2.608 . . . . 0.0 112.12 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.3 m80 68.78 -78.9 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.162 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.9 mt -106.4 116.26 31.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -81.6 88.12 6.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.675 0.75 . . . . 0.0 110.514 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -91.37 -46.46 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.177 -176.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 m -85.59 147.65 26.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -84.01 164.75 19.12 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -56.5 117.16 3.58 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -94.78 176.05 6.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.83 0.347 . . . . 0.0 110.663 -175.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.514 ' HB2' ' OH ' ' A' ' 77' ' ' TYR . 5.3 m -70.27 -25.86 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.475 ' CD2' HG23 ' A' ' 81' ' ' VAL . 66.5 m-85 -54.78 -40.0 68.99 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -55.84 -38.84 70.59 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.57 -177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -90.22 -56.62 3.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG23 HG21 ' A' ' 81' ' ' VAL . 27.6 m -59.94 -34.38 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -171.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 41' ' ' VAL . 36.9 tp -60.35 -64.81 0.82 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.115 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.693 ' HB2' HD12 ' A' ' 42' ' ' ILE . 17.4 ptt-85 -66.23 -27.66 68.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 -174.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.5 -37.32 79.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.443 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.416 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 11.5 p80 -92.72 -33.96 14.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -172.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.2 p -102.22 -35.55 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -171.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.693 HD12 ' HB2' ' A' ' 38' ' ' ARG . 28.8 mt -63.21 -53.5 53.41 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -174.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.53 -3.43 13.85 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 121.625 1.55 . . . . 0.0 113.208 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.1 p -107.54 -63.35 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 0.0 111.67 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -107.48 18.65 21.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -58.87 -32.8 71.04 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 114.023 -175.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 t -84.99 8.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.182 0.491 . . . . 0.0 110.899 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 9' ' ' VAL . 43.7 mm -96.35 129.99 32.01 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.201 177.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.575 ' HG2' ' HD2' ' A' ' 52' ' ' LYS . 21.5 Cg_exo -65.97 147.45 84.7 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 172.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.17 -31.18 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.845 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.22 5.3 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HD2' ' HG2' ' A' ' 49' ' ' PRO . 46.9 mttp -116.69 10.22 14.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 109.993 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 58' ' ' ILE . 3.0 tm? -79.84 102.94 9.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.618 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -100.7 151.27 37.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.855 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.1 -31.09 89.29 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.917 2.411 . . . . 0.0 112.438 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.62 95.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.062 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -68.22 -33.59 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 53' ' ' LEU . 46.2 mt -68.12 -47.36 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.222 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.57 -40.75 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.04 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -58.15 -46.42 85.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.301 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 3.0 tm? -58.49 -43.81 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.56 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 21.4 m-30 -62.33 -43.49 98.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.418 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.94 -44.72 65.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.57 0.544 . . . . 0.0 111.509 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.2 m -61.66 -45.6 93.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.996 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 19.5 pttp -72.25 -23.37 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.913 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.59 -39.82 77.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.29 -33.31 63.15 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.228 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -68.21 -7.81 33.56 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.663 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.04 6.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.451 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.8 mt -78.75 159.26 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.5 m -101.51 152.87 38.11 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.235 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.493 ' HA ' HG22 ' A' ' 75' ' ' VAL . 72.4 Cg_exo -50.49 -39.74 54.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.174 2.582 . . . . 0.0 113.125 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.5 p -58.55 -44.72 89.74 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.278 0.561 . . . . 0.0 111.01 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 78' ' ' ILE . 23.7 mmt180 -67.96 -44.94 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.711 -177.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 72' ' ' PRO . 5.9 m -71.05 -23.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.993 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -68.56 -44.07 75.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.514 ' OH ' ' HB2' ' A' ' 32' ' ' SER . 63.8 t80 -65.37 -38.62 90.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.33 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.573 HG21 ' HE2' ' A' ' 65' ' ' LYS . 77.3 mt -61.81 -31.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.987 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.424 ' HD2' ' OH ' ' A' ' 62' ' ' TYR . 12.0 t-160 -68.78 -42.39 77.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.708 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 77' ' ' TYR . 31.9 m -78.05 -36.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.674 -176.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.3 p -65.73 -35.57 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.879 0.371 . . . . 0.0 110.638 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.97 -47.48 71.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.074 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.81 -38.56 88.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.16 -60.01 4.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.245 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.52 -27.92 58.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.947 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.4 ttm -69.55 -21.08 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 68.9 m -65.78 -33.2 75.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -65.36 -35.52 81.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.721 0.296 . . . . 0.0 110.878 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.63 80.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.301 0.572 . . . . 0.0 109.929 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -64.26 -49.86 70.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.484 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 87' ' ' SER . 41.3 mt-10 -58.98 -41.24 87.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 m -68.08 -9.49 46.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.68 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 -2.81 78.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.597 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.66 -40.08 84.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.526 0.679 . . . . 0.0 109.465 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.403 HD21 ' CG ' ' A' ' 99' ' ' PRO . 17.1 tp -116.9 137.86 51.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.403 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.791 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -89.4 -17.71 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 11.9 pt20 -146.08 -179.81 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.349 . . . . 0.0 111.371 -173.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 101' ' ' GLU . 19.3 t30 -105.79 95.45 10.58 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.773 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 7.2 Cg_exo -73.12 -17.29 24.82 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.963 2.442 . . . . 0.0 112.015 -177.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.56 -14.1 61.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.541 ' HB2' ' ND2' ' A' ' 98' ' ' ASN . 10.7 tp10 -79.09 -39.47 33.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 -5.35 59.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.74 95.2 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.905 175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 53.5 mtpt -108.84 141.16 22.75 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.426 -175.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 104' ' ' LYS . 31.5 Cg_exo -58.95 122.0 10.88 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.102 2.535 . . . . 0.0 112.571 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -82.31 85.49 1.65 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.674 2.25 . . . . 0.0 112.134 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 107' ' ' ARG . 18.5 ttt180 -82.51 -18.16 42.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -109.86 95.14 19.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 168.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -87.47 169.46 7.02 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 123.468 2.778 . . . . 0.0 112.966 -172.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -113.08 143.2 44.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.707 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -90.64 162.58 14.88 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -77.93 124.89 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -84.72 131.43 34.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.192 0.52 . . . . 0.0 110.334 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -108.51 5.43 25.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.345 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 69.85 -82.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -166.32 -47.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.613 177.629 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.266 0.555 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -128.36 133.57 66.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.438 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 3.1 mp0 -59.12 140.37 87.39 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.743 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -55.07 -53.12 6.43 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.381 2.054 . . . . 0.0 111.596 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p 49.6 31.42 4.19 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.55 0.74 . . . . 0.0 111.932 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -142.31 83.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.888 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pt -157.4 82.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.685 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.713 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 42.8 p -110.75 173.04 6.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.851 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.719 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 59.2 t -61.94 -35.44 68.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.991 0.425 . . . . 0.0 110.247 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' HG2' HG23 ' A' ' 42' ' ' ILE . 5.9 mt-10 -55.33 -49.77 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.409 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.49 -28.98 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.321 -174.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -66.71 -45.28 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.04 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 78.9 mt -70.37 -31.67 69.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 177.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.09 -46.97 82.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.693 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -71.47 -37.95 71.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.309 0.576 . . . . 0.0 109.918 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -63.76 -63.0 1.29 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.714 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.5 pp -64.69 -27.73 69.12 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -172.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.4 m -73.06 -38.25 66.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.883 0.373 . . . . 0.0 111.277 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.47 -36.86 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.313 0.578 . . . . 0.0 110.666 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -87.51 5.98 36.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.094 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -65.77 -0.34 2.13 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 176.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.598 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . 18.3 ptpt -68.06 174.29 2.5 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.266 175.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.598 ' HD2' ' HB2' ' A' ' 22' ' ' LYS . 88.8 Cg_exo -46.23 122.27 5.32 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.485 2.124 . . . . 0.0 112.09 173.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 55.5 m-70 -95.25 23.73 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.019 -171.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 88.7 mt 70.95 -59.83 0.53 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.717 0.636 . . . . 0.0 109.806 -172.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.482 HH22 ' HG2' ' A' ' 84' ' ' GLU . 23.2 mtm180 -77.74 146.67 35.77 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 172.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -64.77 -73.41 0.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -174.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.8 m 64.88 173.02 0.2 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.682 -176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 m -84.04 -21.37 31.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.04 -0.413 . . . . 0.0 111.443 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.3 t90 72.81 138.16 0.05 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.471 0.708 . . . . 0.0 110.139 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 70.92 9.24 6.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.664 0.745 . . . . 0.0 109.224 -169.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m -73.81 -63.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.615 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.728 ' HA ' HG22 ' A' ' 36' ' ' VAL . 31.2 p90 -76.79 -28.15 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -60.02 -27.25 66.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.292 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 m -91.73 -56.02 3.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.006 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 33' ' ' TYR . 28.9 m -63.63 -40.88 90.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -170.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' O ' HG12 ' A' ' 41' ' ' VAL . 74.0 mt -65.4 -59.97 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.079 -175.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' HB2' HD12 ' A' ' 42' ' ' ILE . 31.8 ptt180 -60.13 -35.88 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.117 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.46 -35.46 81.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.654 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -100.55 -46.02 5.34 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -173.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.6 p -100.43 -20.09 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -167.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD12 ' HB2' ' A' ' 38' ' ' ARG . 8.2 mt -71.04 -50.88 11.27 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.335 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 19.8 Cg_exo -66.97 -19.2 52.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.832 1.688 . . . . 0.0 112.254 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -97.1 -67.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.066 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 53' ' ' LEU . 68.1 mt -106.01 3.77 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.229 -173.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.719 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -59.94 -30.43 69.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.339 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 m -81.35 -1.22 44.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.789 0.328 . . . . 0.0 111.58 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.505 ' O ' HG23 ' A' ' 9' ' ' VAL . 42.1 mm -95.73 128.16 38.77 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.58 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.666 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 34.6 Cg_exo -57.63 140.37 93.23 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.626 2.217 . . . . 0.0 111.504 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -56.94 -40.81 77.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.43 -2.71 43.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 111.341 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 57.6 tttp -103.46 -32.35 9.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.623 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD21 HD13 ' A' ' 45' ' ' LEU . 2.9 tm? -53.48 123.88 13.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.941 -176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 56.7 mt-30 -117.81 159.92 40.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.701 -177.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.32 -24.71 69.37 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.777 2.318 . . . . 0.0 112.709 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.65 74.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 45' ' ' LEU . 20.2 m-20 -69.66 -42.31 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.303 0.573 . . . . 0.0 110.086 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.7 mt -69.11 -34.64 64.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.134 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -57.08 -48.01 79.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.76 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -62.41 -39.11 92.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.887 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.55 -49.46 76.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.193 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.497 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.2 m-85 -59.88 -53.13 61.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.633 177.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.95 84.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.689 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.4 t -62.98 -41.33 99.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 -177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -79.27 -33.09 43.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.398 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.544 ' HG ' ' HG2' ' A' ' 106' ' ' PRO . 3.4 mm? -63.79 -34.07 77.08 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.092 0.473 . . . . 0.0 110.028 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.82 -32.93 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.527 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.9 m -78.01 -22.19 49.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.938 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.37 42.97 4.13 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.24 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 66' ' ' LEU . 1.5 pt? -81.26 161.24 24.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 7.3 m -67.26 129.27 93.82 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.849 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' HA ' HG12 ' A' ' 75' ' ' VAL . 52.6 Cg_exo -54.69 -34.3 83.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.118 2.545 . . . . 0.0 112.996 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 p -62.22 -30.46 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.96 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.541 ' O ' HG12 ' A' ' 78' ' ' ILE . 18.9 tpp85 -72.0 -52.2 18.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.319 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.533 HG11 HD21 ' A' ' 66' ' ' LEU . 14.6 p -68.95 -27.86 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.004 -177.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.7 -41.74 91.97 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.01 -42.22 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.077 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 74' ' ' ARG . 51.0 mm -56.64 -40.84 71.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.383 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.497 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 19.3 t-80 -60.35 -45.4 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.5 -36.77 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.729 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.1 p -72.97 -37.14 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.82 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.41 ' HG ' HG21 ' A' ' 100' ' ' THR . 25.2 tp -73.6 -29.51 62.43 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.451 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 55.2 t-80 -61.11 -51.17 70.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.572 173.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HG2' HH22 ' A' ' 26' ' ' ARG . 10.5 tp10 -59.48 -50.26 74.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.015 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.08 87.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.018 -176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.22 -25.97 61.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.537 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 51.5 m -71.17 -28.36 64.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.671 0.272 . . . . 0.0 110.423 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -41.71 98.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.684 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -64.61 -41.12 96.41 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.516 176.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.79 -46.09 91.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.012 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 87' ' ' SER . 48.8 mm-40 -65.46 -25.0 67.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.312 -179.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -78.88 -14.9 58.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.959 0.409 . . . . 0.0 110.635 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.99 -2.9 85.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.906 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.684 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -81.67 -14.48 56.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.238 0.542 . . . . 0.0 110.295 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.7 tp -120.87 123.14 41.82 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.53 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.78 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.2 pt? -77.93 -30.57 50.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.641 -174.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.473 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 4.9 pp0? -138.32 153.8 49.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.72 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 2.1 m-20 -94.74 104.71 15.27 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 15.3 Cg_exo -67.82 -26.04 38.81 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 111.874 -176.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 83' ' ' HIS . 2.1 p -82.74 -9.9 59.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.371 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.06 -33.66 33.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 109.6 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.56 25.92 11.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.868 -177.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.6 112.46 22.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.17 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 44.1 mttp -73.37 133.85 80.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.579 -177.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 7.3 Cg_exo -73.35 151.61 48.57 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.623 2.216 . . . . 0.0 111.017 173.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.544 ' HG2' ' HG ' ' A' ' 66' ' ' LEU . 46.6 Cg_exo -57.35 -29.21 83.38 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.54 2.16 . . . . 0.0 112.102 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -71.6 103.66 3.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.345 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 109' ' ' PRO . 63.4 m-70 -96.11 132.0 27.73 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.913 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 108' ' ' HIS . 31.2 Cg_exo -58.89 156.72 31.82 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.722 2.282 . . . . 0.0 112.66 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.873 ' H ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -77.97 26.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.259 -176.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -77.35 -179.72 5.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.815 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -83.57 85.09 7.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.03 0.443 . . . . 0.0 109.838 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -122.98 86.75 2.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -108.76 125.56 52.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.627 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -160.71 139.85 10.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 111.73 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -131.06 -20.97 2.7 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 166.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 C--O 1.247 0.953 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.949 176.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtm . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.683 0.278 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.3 mt -86.76 -41.76 15.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.984 0.421 . . . . 0.0 110.15 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -120.11 91.15 45.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.453 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.8 -48.72 0.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.557 2.171 . . . . 0.0 111.631 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m 60.27 -176.55 0.1 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.454 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -173.25 150.91 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.772 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -76.66 89.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.945 0.879 . . . . 0.0 110.909 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.712 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 10.9 m -123.82 155.73 37.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.127 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.21 -46.03 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.465 ' HB3' HG12 ' A' ' 42' ' ' ILE . 12.5 pt-20 -68.31 -17.34 64.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.324 . . . . 0.0 110.553 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.712 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -65.86 -62.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.789 -178.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.6 p-90 -71.17 -24.99 62.35 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.781 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.578 HD12 ' HG2' ' A' ' 34' ' ' GLU . 1.5 mm? -63.64 -44.62 93.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.061 0.458 . . . . 0.0 110.334 173.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.493 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 9.8 t30 -73.37 -24.36 60.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 -177.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 11.1 mmm-85 -73.2 -41.46 63.77 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.741 0.782 . . . . 0.0 108.999 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.464 ' O ' ' HD1' ' A' ' 20' ' ' TYR . 24.4 t-105 -58.39 -37.54 75.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.773 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.945 HD21 ' HG3' ' A' ' 34' ' ' GLU . 80.3 mt -49.57 -51.77 34.65 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.612 0.57 . . . . 0.0 111.135 177.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 m -68.23 -26.29 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.051 0.453 . . . . 0.0 110.989 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.72 -60.7 2.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.79 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.624 ' CE2' ' HB3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -94.93 7.38 46.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -171.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -56.28 -29.34 61.02 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.123 0.487 . . . . 0.0 110.8 175.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -134.95 80.73 47.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.794 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -90.63 -152.54 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.217 2.611 . . . . 0.0 112.469 -175.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -129.22 135.74 49.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.703 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 mt 68.99 -79.39 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.571 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 15.7 ptt180 -67.14 117.57 9.35 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.457 0.646 . . . . 0.0 111.712 -170.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 28' ' ' SER . 21.7 pt20 -126.86 145.34 50.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.068 176.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 7.8 t 176.46 -165.46 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -78.44 89.42 4.42 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.624 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 6.6 m-90 -67.93 -32.07 72.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.065 -175.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.36 -2.81 26.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.576 -174.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.6 m -59.74 -27.6 66.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.697 0.284 . . . . 0.0 111.289 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.499 ' HA ' HG21 ' A' ' 81' ' ' VAL . 62.0 m-85 -83.46 -35.17 25.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.579 . . . . 0.0 110.603 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.945 ' HG3' HD21 ' A' ' 17' ' ' LEU . 3.1 tm-20 -79.8 -47.74 14.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.072 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -57.08 -51.72 68.14 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 81' ' ' VAL . 16.1 m -59.72 -37.96 73.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.442 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.534 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.3 mp -64.88 -63.69 1.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.808 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.629 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 11.5 ptm180 -59.45 -39.29 83.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.005 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.52 -40.81 96.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -101.12 -52.03 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 37' ' ' LEU . 14.6 m -96.37 -10.61 8.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -168.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.629 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -77.46 -43.65 2.55 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 120.212 -0.595 . . . . 0.0 112.49 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.619 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 26.0 Cg_exo -64.9 -14.69 46.5 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.819 1.679 . . . . 0.0 112.096 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.8 p -106.6 -67.33 0.95 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.686 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.1 mt -105.82 -2.12 23.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.221 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -63.14 -30.89 78.88 Favored Glycine 0 CA--C 1.513 -0.057 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.283 -175.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 m -88.67 8.78 26.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.804 0.335 . . . . 0.0 111.129 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.5 mt -104.69 126.25 31.79 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.98 137.74 80.05 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.538 2.159 . . . . 0.0 111.868 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -27.81 67.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.924 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.45 -19.59 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.03 0.443 . . . . 0.0 110.874 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -104.95 -10.59 17.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.245 0.545 . . . . 0.0 110.308 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.55 117.01 6.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.659 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -95.41 148.19 34.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.108 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.27 -24.12 72.79 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.639 2.226 . . . . 0.0 111.88 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.82 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.24 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -71.1 -42.32 69.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.365 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.208 0.528 . . . . 0.0 109.844 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.568 ' HG2' ' HB3' ' A' ' 104' ' ' LYS . 0.7 OUTLIER -56.0 -53.47 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.446 174.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.62 -39.29 83.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.107 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.4 tm? -57.78 -51.44 69.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.844 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.16 -43.17 99.31 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.955 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.74 84.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.712 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.5 m -63.52 -34.46 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.137 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 3.5 mmmp? -58.35 -49.35 77.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.65 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -75.93 -32.42 59.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.336 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -55.71 -39.68 71.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -74.5 -4.4 36.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.427 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.35 40.4 13.38 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.743 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -90.08 147.8 23.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -178.202 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.2 m -60.12 133.99 90.37 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 123.316 0.385 . . . . 0.0 111.192 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 71' ' ' SER . 77.2 Cg_exo -52.21 -35.94 65.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.783 2.988 . . . . 0.0 113.838 -178.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.0 m -65.63 -33.95 77.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.218 0.532 . . . . 0.0 110.381 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.461 ' O ' HD13 ' A' ' 78' ' ' ILE . 22.7 mmt85 -80.77 -2.54 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.395 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -95.51 -42.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -57.4 -53.09 62.04 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.56 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.412 ' HE2' HG11 ' A' ' 36' ' ' VAL . 63.8 t80 -57.1 -54.11 50.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.232 -177.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.476 ' HA ' HG12 ' A' ' 81' ' ' VAL . 1.8 mp -59.04 -40.23 80.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.58 -53.31 53.51 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.935 0.397 . . . . 0.0 110.718 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.58 -53.8 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.253 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.53 HG11 HG21 ' A' ' 36' ' ' VAL . 13.9 p -63.08 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.602 -174.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.56 -42.48 98.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.701 0.286 . . . . 0.0 110.328 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.447 ' CD2' ' HB ' ' A' ' 100' ' ' THR . 20.7 m80 -60.38 -56.83 16.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.655 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.71 -28.16 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -174.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.75 86.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 110.639 177.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 50.6 mtt -76.15 -24.52 54.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.073 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.653 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 66.8 m -59.36 -37.21 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -56.59 -41.27 76.7 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.751 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.2 -39.31 92.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.778 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.562 HH11 ' HB3' ' A' ' 98' ' ' ASN . 55.9 ttp180 -64.24 -51.07 65.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.51 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 87' ' ' SER . 6.1 mm-40 -63.93 -23.38 67.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.141 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -70.18 -25.7 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.043 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.15 2.77 51.46 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.901 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.751 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -89.31 -18.61 26.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 110.192 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.3 tp -130.3 117.48 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.468 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.672 ' H ' HD23 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -88.41 -25.52 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.526 -176.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.56 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.3 mt-30 -100.97 169.76 8.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.807 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.562 ' HB3' HH11 ' A' ' 90' ' ' ARG . 6.7 p30 -122.76 98.24 43.21 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.615 0.722 . . . . 0.0 110.659 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.6 -17.05 11.45 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.042 2.495 . . . . 0.0 111.526 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.447 ' HB ' ' CD2' ' A' ' 83' ' ' HIS . 3.5 p -74.6 -50.86 16.26 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.751 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.63 -18.91 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.914 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.56 11.53 23.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.553 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.09 146.75 25.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HB3' ' HG2' ' A' ' 59' ' ' GLN . 35.7 tttp -73.48 127.25 89.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 112.356 -171.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.652 ' HB3' ' HG3' ' A' ' 109' ' ' PRO . 71.9 Cg_endo -81.0 142.4 13.74 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.845 2.363 . . . . 0.0 112.038 172.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 39.0 Cg_exo -60.84 -65.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.346 2.031 . . . . 0.0 110.756 173.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -129.4 -71.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -139.5 102.03 7.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.983 0.421 . . . . 0.0 110.3 173.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.652 ' HG3' ' HB3' ' A' ' 105' ' ' PRO . 86.0 Cg_endo -83.04 -13.43 9.1 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.633 2.222 . . . . 0.0 111.613 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.469 HD22 ' HG2' ' A' ' 109' ' ' PRO . 2.9 mm? -82.52 81.25 8.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.579 ' HG2' ' HB3' ' A' ' 113' ' ' HIS . 43.6 tt0 -104.4 143.59 32.8 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.161 -1.381 . . . . 0.0 110.461 -169.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -74.66 54.27 0.6 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.555 0.693 . . . . 0.0 110.591 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.579 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 2.5 t-80 -150.87 97.16 2.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.849 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -132.65 -72.09 0.52 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 27.7 t60 59.16 112.66 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 124.192 0.932 . . . . 0.0 112.807 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -78.23 113.28 16.04 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.439 179.516 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.729 ' HG3' HG13 ' A' ' 2' ' ' ILE . 25.0 ptt? . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.461 0.172 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.729 HG13 ' HG3' ' A' ' 1' ' ' MET . 27.0 mt -130.75 65.47 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-O 121.233 0.54 . . . . 0.0 109.948 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -119.84 119.28 31.29 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.857 175.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.48 155.61 63.2 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.83 2.353 . . . . 0.0 113.009 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -132.74 149.64 52.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.513 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 30.5 mmtp -124.17 -153.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.234 -175.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tt -66.28 104.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.808 0.813 . . . . 0.0 110.786 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 13.0 p -94.97 178.11 5.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.341 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.583 ' HA ' ' NE1' ' A' ' 12' ' ' TRP . 59.8 t -62.84 -37.09 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.311 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.67 -23.3 67.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.334 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.13 -52.13 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.667 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.583 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 61.7 p-90 -79.29 -24.3 42.99 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.023 -176.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 42' ' ' ILE . 24.0 mt -71.89 -34.5 69.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.678 174.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -57.85 -41.89 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 174.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.482 ' NE ' ' HA ' ' A' ' 15' ' ' ARG . 3.3 mmp_? -67.34 -45.13 77.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.313 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' O ' ' HD1' ' A' ' 20' ' ' TYR . 6.5 t-105 -55.97 -56.79 16.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.614 ' HA ' ' CE1' ' A' ' 20' ' ' TYR . 8.9 mp -55.55 -46.65 77.1 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.419 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.2 m -68.53 -26.7 65.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.02 0.438 . . . . 0.0 111.263 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.61 -60.62 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.602 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.614 ' CE1' ' HA ' ' A' ' 17' ' ' LEU . 17.8 p90 -74.53 -10.09 59.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.131 -173.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 22' ' ' LYS . . . -56.15 -51.63 67.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 8.4 mtmp? 69.71 164.44 0.14 Allowed Pre-proline 0 N--CA 1.465 0.28 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.502 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.49 178.62 7.17 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.511 2.141 . . . . 0.0 111.572 173.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.445 ' C ' HD23 ' A' ' 25' ' ' LEU . 91.7 m-70 70.55 -91.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.351 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.445 HD23 ' C ' ' A' ' 24' ' ' HIS . 1.5 pt? 35.15 40.68 0.06 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.185 0.994 . . . . 0.0 112.448 -174.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.627 ' HD2' ' O ' ' A' ' 26' ' ' ARG . 3.1 tmm_? -70.94 -21.81 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.069 -176.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -61.43 -31.85 71.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.908 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.2 t 70.01 154.79 0.13 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.843 0.714 . . . . 0.0 111.035 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 t -166.99 -48.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.2 t90 61.25 109.14 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.397 0.679 . . . . 0.0 111.287 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -111.79 157.47 20.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.904 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.462 ' O ' HG22 ' A' ' 36' ' ' VAL . 34.8 m -94.57 -8.26 38.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.623 0.249 . . . . 0.0 111.407 175.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.07 -42.91 95.55 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -170.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -82.16 -33.19 29.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.391 0.615 . . . . 0.0 109.578 -177.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.9 m -63.91 -54.07 40.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.252 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 32' ' ' SER . 35.2 m -66.21 -30.51 50.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.707 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.605 ' O ' HG12 ' A' ' 41' ' ' VAL . 25.9 tp -65.58 -65.25 0.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.698 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 37.7 ptt180 -68.26 -37.18 80.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -174.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tt -68.31 -33.4 74.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.732 0.301 . . . . 0.0 111.644 -177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -95.2 -48.32 5.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 37' ' ' LEU . 10.0 p -100.62 -18.91 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.698 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -69.49 -47.42 26.24 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 121.673 -0.642 . . . . 0.0 112.221 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 59.4 Cg_endo -72.96 -5.14 16.68 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 121.519 1.48 . . . . 0.0 112.826 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 41' ' ' VAL . 9.5 p -108.22 -66.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.899 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.762 ' HG ' HD12 ' A' ' 48' ' ' ILE . 11.2 mp -107.72 9.27 29.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -175.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.533 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . -63.95 -24.03 68.11 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.873 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -95.61 19.01 11.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 111.182 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.762 HD12 ' HG ' ' A' ' 45' ' ' LEU . 42.2 mt -106.67 125.32 33.04 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.032 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.732 ' HG2' ' HB3' ' A' ' 52' ' ' LYS . 21.6 Cg_endo -61.55 144.63 97.91 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.791 2.328 . . . . 0.0 112.064 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.477 HD13 HD13 ' A' ' 94' ' ' LEU . 95.2 mt -69.67 -25.73 64.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -168.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -83.6 -26.61 29.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.773 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.732 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 6.6 tmtm? -78.93 -22.31 45.98 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.27 106.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.446 HE21 ' HB2' ' A' ' 54' ' ' GLN . 15.0 mt-30 -93.79 157.93 37.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.763 176.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.94 -26.1 81.42 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 121.876 1.717 . . . . 0.0 110.572 168.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.31 68.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.915 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -71.42 -36.49 71.34 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.402 HG22 ' CE2' ' A' ' 62' ' ' TYR . 50.4 mt -67.3 -40.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.701 175.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -59.31 -43.93 92.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.437 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.71 -43.03 89.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.917 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD23 HD13 ' A' ' 45' ' ' LEU . 2.8 tm? -54.41 -46.86 73.25 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.272 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.488 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 27.5 m-85 -65.05 -46.4 81.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.28 -52.04 63.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.661 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.9 m -69.46 -17.24 63.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.09 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 5.4 mmtm -97.61 -28.54 13.89 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.571 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.65 -36.31 83.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.33 -31.86 64.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.25 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.4 m -77.46 -4.91 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.225 -177.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.47 34.98 6.38 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.111 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -76.81 128.93 35.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 75' ' ' VAL . 41.6 m -62.93 128.41 92.07 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.141 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.54 -36.7 40.75 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.501 2.801 . . . . 0.0 113.148 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -63.06 -41.12 99.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.283 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.543 ' O ' HG12 ' A' ' 78' ' ' ILE . 60.9 ttm-85 -81.72 -27.55 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.373 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 71' ' ' SER . 94.9 t -60.3 -42.41 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.44 0.638 . . . . 0.0 109.329 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -69.53 -33.67 73.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.159 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -64.16 -47.46 79.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.687 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 74' ' ' ARG . 50.8 mm -61.91 -35.43 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.26 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.488 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 25.4 t-80 -60.24 -44.44 95.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.233 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.58 -39.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.478 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -69.26 -37.96 76.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.54 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.54 -33.06 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 100' ' ' THR . 0.2 OUTLIER -52.83 -54.07 39.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.536 176.307 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 13.5 pt-20 -77.44 -38.95 48.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.538 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.46 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.672 0.272 . . . . 0.0 111.568 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -72.13 -30.44 65.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.464 . . . . 0.0 110.122 179.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 t -65.75 -30.95 71.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.257 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 21.7 mt-30 -59.3 -39.15 82.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.327 175.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.945 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.54 -41.36 93.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.334 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.751 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 19.9 ttp180 -59.21 -52.34 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.385 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -77.19 1.99 16.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.484 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.6 t -92.79 -8.53 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 172.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 -8.0 79.43 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.026 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.945 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -87.67 -8.24 56.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 110.866 -176.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.751 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 25.5 tp -132.14 135.46 46.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.498 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.822 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.1 pt? -78.22 -32.05 49.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -173.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.471 ' HG2' ' HG ' ' A' ' 96' ' ' LEU . 4.1 pt20 -145.92 -174.7 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.014 -175.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.83 100.31 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.317 0.579 . . . . 0.0 111.009 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.19 -14.16 37.4 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.74 2.294 . . . . 0.0 111.309 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -65.13 -34.58 78.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.974 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -70.87 -19.74 62.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.14 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.61 4.78 38.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.601 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -93.32 99.6 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.277 0.561 . . . . 0.0 110.126 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -120.19 138.51 27.21 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.94 -176.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.31 143.15 88.5 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.0 2.467 . . . . 0.0 112.451 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.661 ' HB2' ' HG3' ' A' ' 109' ' ' PRO . 44.2 Cg_endo -69.73 95.19 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.565 2.176 . . . . 0.0 112.537 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -79.53 -47.66 15.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.945 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -139.61 77.24 28.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.477 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.661 ' HG3' ' HB2' ' A' ' 106' ' ' PRO . 98.1 Cg_endo -96.82 -157.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.252 2.635 . . . . 0.0 112.59 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -107.08 134.21 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.773 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.95 86.43 5.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.393 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.96 -82.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 173.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 57.58 84.18 0.1 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.958 0.409 . . . . 0.0 110.711 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.23 106.52 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.451 0.643 . . . . 0.0 111.256 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.67 115.87 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.925 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -155.0 -41.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.935 0.397 . . . . 0.0 110.22 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.7 p80 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.499 -0.763 . . . . 0.0 109.28 178.213 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.62 96.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.445 ' H ' ' HD3' ' A' ' 4' ' ' PRO . 36.3 tt0 -106.36 -44.36 0.13 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 115.354 -0.839 . . . . 0.0 113.222 -172.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.445 ' HD3' ' H ' ' A' ' 3' ' ' GLU . 17.1 Cg_exo -69.25 36.16 0.21 Allowed 'Trans proline' 0 C--N 1.363 1.339 0 C-N-CA 122.758 2.305 . . . . 0.0 114.187 -175.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -173.16 104.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -100.36 140.82 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.585 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.1 mt 57.86 70.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.478 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 67.5 p -107.19 176.2 5.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.092 -178.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.785 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.6 t -62.55 -41.69 92.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.734 178.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -36.11 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.889 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 51.8 mt-30 -70.08 -33.7 72.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.115 0.483 . . . . 0.0 110.321 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -66.84 -50.37 62.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.822 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.773 HD12 HD11 ' A' ' 42' ' ' ILE . 83.8 mt -66.11 -36.57 83.52 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -54.89 -46.19 74.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.907 0.384 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.71 -35.67 38.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.789 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -59.78 -53.22 60.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.154 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 6.8 mp -58.59 -42.44 88.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.566 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.7 m -66.53 -36.84 83.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.683 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -88.15 -42.15 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.834 0.35 . . . . 0.0 111.717 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -89.95 4.77 49.05 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -62.51 -59.66 4.63 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.804 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . 65.4 mttm 69.13 168.49 0.12 Allowed Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.504 175.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.804 ' HD2' ' HB3' ' A' ' 22' ' ' LYS . 11.4 Cg_endo -55.02 144.38 68.88 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.867 2.378 . . . . 0.0 112.984 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -77.17 79.83 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.992 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 25' ' ' LEU . 16.1 tp -134.48 127.97 32.49 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 63.52 22.69 13.31 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.476 0.485 . . . . 0.0 110.209 -171.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -57.35 -40.25 77.65 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.073 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m 52.35 32.75 11.57 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.526 0.516 . . . . 0.0 111.985 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 p 48.56 38.42 11.11 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.999 0.52 . . . . 0.0 111.972 -175.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -69.36 102.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.492 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -161.72 25.16 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.911 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 m -57.02 -50.34 73.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.905 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -80.3 -30.84 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.102 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 58.8 mm-40 -55.6 -57.64 11.11 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.313 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -54.56 -63.92 1.0 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.616 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -56.74 -38.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.596 ' O ' HG22 ' A' ' 41' ' ' VAL . 19.6 tp -66.24 -64.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.305 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 18.0 ptp180 -57.85 -43.31 85.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.154 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.1 tp -62.75 -41.65 99.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.967 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -100.15 -42.15 6.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -170.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 37' ' ' LEU . 4.1 m -100.42 -16.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.773 HD11 HD12 ' A' ' 13' ' ' LEU . 15.8 mm -72.68 -53.55 5.53 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 120.217 -0.593 . . . . 0.0 112.305 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 23.0 Cg_exo -66.37 -8.56 21.0 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 121.902 1.735 . . . . 0.0 112.681 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 p -107.19 -67.52 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.83 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 57' ' ' ASP . 3.5 mm? -98.24 -17.81 18.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.397 -176.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.785 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.23 -34.5 90.13 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.468 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.6 m -77.91 7.64 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.979 0.419 . . . . 0.0 111.357 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 71.2 mt -116.89 133.61 23.06 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.167 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 32.7 Cg_exo -60.89 145.66 98.71 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.74 2.293 . . . . 0.0 111.547 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.652 ' HB3' HD13 ' A' ' 95' ' ' LEU . 4.9 mp -66.57 -23.78 66.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -175.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -1.88 18.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.799 0.333 . . . . 0.0 111.246 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 35.5 tttm -123.23 7.75 9.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 173.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.671 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -72.56 99.31 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.446 0.641 . . . . 0.0 109.602 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -94.89 140.5 22.53 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.231 -174.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.07 -34.18 94.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.038 2.492 . . . . 0.0 112.215 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.5 90.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.529 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -72.07 -32.08 66.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.557 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 HD11 ' A' ' 53' ' ' LEU . 71.2 mt -64.82 -46.07 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.949 174.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.51 -38.04 89.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.139 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -61.08 -38.75 87.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.474 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.83 -46.82 84.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.429 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.6 m-85 -62.91 -47.5 82.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.25 99.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.503 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -67.5 -39.56 85.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.789 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.911 ' HB3' HD12 ' A' ' 70' ' ' LEU . 3.8 mptp? -78.57 -20.35 50.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.276 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.81 -42.05 95.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.6 -27.1 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.652 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.8 m -67.19 -22.05 65.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.59 5.5 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.936 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' ' 65' ' ' LYS . 72.1 mt -86.56 128.22 34.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.607 -0.349 . . . . 0.0 110.166 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.476 ' OG ' ' HG2' ' A' ' 74' ' ' ARG . 24.3 p -70.98 151.14 95.05 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.84 -36.71 43.67 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.364 2.709 . . . . 0.0 113.414 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -69.56 -34.08 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 111.694 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.476 ' HG2' ' OG ' ' A' ' 71' ' ' SER . 30.3 mmm-85 -75.19 -37.75 61.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.306 0.574 . . . . 0.0 109.645 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 80' ' ' VAL . 67.2 ttt180 -58.89 -44.86 91.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.939 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.5 -46.76 86.98 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.783 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.525 ' HA ' HG12 ' A' ' 81' ' ' VAL . 74.5 mt -57.15 -39.65 68.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.697 177.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.429 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 30.9 t-80 -62.91 -37.06 85.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 76' ' ' ARG . 86.7 t -75.18 -45.38 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.306 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 78' ' ' ILE . 14.2 p -68.71 -38.81 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 111.02 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.466 ' HG ' HG21 ' A' ' 100' ' ' THR . 32.5 tp -70.01 -35.44 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.426 ' HA ' ' OG1' ' A' ' 100' ' ' THR . 48.2 t-80 -58.5 -49.51 77.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.018 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.5 -56.95 15.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.187 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.42 -46.07 80.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.606 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 26.0 mmt -74.7 -19.1 60.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.909 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -70.61 -42.31 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.975 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -67.38 -41.73 84.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.149 176.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -59.77 -39.99 86.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 175.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.642 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 34.2 ttt180 -59.02 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.985 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.54 -18.36 65.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.657 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m -83.27 0.26 46.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.6 11.59 77.18 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.365 175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.617 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -100.75 -0.14 37.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.204 0.526 . . . . 0.0 110.664 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.652 HD13 ' HB3' ' A' ' 50' ' ' LEU . 13.9 tp -114.76 -98.3 0.44 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.875 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.544 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 44.4 tp 170.94 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.687 0.756 . . . . 0.0 109.211 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.544 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 49.7 mt-30 -144.86 -171.1 3.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.099 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -107.59 94.9 12.77 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 121.723 0.773 . . . . 0.0 110.52 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 73.2 Cg_endo -82.89 -17.72 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.457 2.105 . . . . 0.0 112.061 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.466 HG21 ' HG ' ' A' ' 82' ' ' LEU . 9.0 p -74.43 -18.71 60.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.019 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' HE2' ' A' ' 104' ' ' LYS . 27.6 tt0 -91.7 -27.33 18.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.784 177.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.75 -29.0 40.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.94 134.72 38.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -128.48 152.11 77.8 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.184 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HB2' ' HD3' ' A' ' 106' ' ' PRO . 52.6 Cg_exo -52.79 -48.35 22.5 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.623 2.215 . . . . 0.0 113.598 175.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.495 ' HD3' ' HB2' ' A' ' 105' ' ' PRO . 6.1 Cg_exo -80.02 -169.84 0.88 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.054 1.836 . . . . 0.0 111.908 175.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -85.54 -80.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -171.5 98.61 0.4 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.343 0.592 . . . . 0.0 110.167 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -84.79 -152.95 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.87 2.38 . . . . 0.0 112.316 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.46 48.74 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.73 -64.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.651 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -144.79 93.04 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.328 -170.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -150.28 -28.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.35 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.553 ' O ' ' HB2' ' A' ' 115' ' ' HIS . 48.6 t-80 -97.4 71.93 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.996 -176.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.553 ' HB2' ' O ' ' A' ' 114' ' ' HIS . 2.7 t-80 166.38 -45.25 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -158.68 144.21 16.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.031 -1.441 . . . . 0.0 107.797 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 50.6 m170 . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.061 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.808 0.337 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -83.92 77.54 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.283 1.039 . . . . 0.0 109.88 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -143.16 88.05 8.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.641 -178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.32 -40.2 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.3 2.667 . . . . 0.0 113.701 -173.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -88.03 127.94 35.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.921 0.391 . . . . 0.0 110.76 -174.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -119.68 -133.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.575 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt 45.08 61.15 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.658 1.183 . . . . 0.0 113.337 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.756 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 77.7 p -88.3 168.34 12.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.245 171.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.015 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 60.9 t -56.36 -41.88 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.492 ' HA ' HG13 ' A' ' 42' ' ' ILE . 11.5 pt-20 -68.56 -42.78 77.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.633 0.254 . . . . 0.0 111.322 -177.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.81 -39.42 83.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 0.0 110.571 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -71.71 -38.9 70.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.656 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -58.19 -47.82 82.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -177.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.968 0.413 . . . . 0.0 110.553 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -67.22 -32.43 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -59.16 -43.06 92.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 34' ' ' GLU . 11.3 mp -66.32 -50.52 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.643 176.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 m -53.81 -48.18 70.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.774 -177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -76.88 -52.91 8.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.364 -173.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -72.36 -33.97 67.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.566 ' HB1' HG21 ' A' ' 29' ' ' THR . . . -76.65 -54.92 6.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.28 178.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? 52.46 83.71 0.22 Allowed Pre-proline 0 C--O 1.234 0.265 0 O-C-N 123.83 0.706 . . . . 0.0 111.501 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.97 102.55 0.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.803 2.336 . . . . 0.0 112.374 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -97.66 -38.33 9.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.578 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 tt -148.54 -45.91 0.15 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.299 -174.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -64.52 106.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.944 -174.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -70.55 -46.71 63.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.744 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -80.87 91.41 5.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.02 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.566 HG21 ' HB1' ' A' ' 21' ' ' ALA . 41.7 m -121.3 97.37 5.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.501 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -165.95 138.64 4.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.335 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HG2' ' H ' ' A' ' 32' ' ' SER . 11.5 tt0 -137.95 -157.24 0.76 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.542 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.7 m -80.55 -46.21 16.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HD1' ' H ' ' A' ' 33' ' ' TYR . 8.3 m-85 -51.96 -62.43 1.64 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.771 0.669 . . . . 0.0 112.343 -170.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.612 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -60.77 -46.39 90.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.284 -174.314 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 m -56.47 -54.07 50.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.132 -175.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 32' ' ' SER . 21.5 m -68.05 -39.61 81.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 CA-C-O 120.986 0.422 . . . . 0.0 111.335 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 41' ' ' VAL . 17.5 tp -65.52 -56.11 14.12 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 -176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.627 ' HA ' HD13 ' A' ' 42' ' ' ILE . 15.7 ptm180 -60.56 -37.8 82.46 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -176.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.58 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.614 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -91.77 -46.81 7.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 37' ' ' LEU . 13.0 p -92.0 -32.46 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -170.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.627 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.4 mp -62.95 -48.38 84.95 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.51 -37.78 90.12 Favored 'Trans proline' 0 C--N 1.355 0.868 0 C-N-CA 122.108 1.872 . . . . 0.0 113.696 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 t -107.51 -51.19 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 57' ' ' ASP . 11.1 mp -95.02 -9.23 34.46 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.127 -0.358 . . . . 0.0 111.358 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.015 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -63.65 -30.74 78.54 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.192 -176.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -80.81 5.31 16.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.7 mt -102.28 131.68 22.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.756 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 11.2 Cg_endo -57.3 144.1 91.97 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.405 2.07 . . . . 0.0 111.586 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD23 HG22 ' A' ' 9' ' ' VAL . 90.3 mt -53.59 -39.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -80.76 -1.68 43.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.635 0.255 . . . . 0.0 111.6 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HB2' ' HG2' ' A' ' 49' ' ' PRO . 33.2 tttm -106.37 -3.46 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.345 0.593 . . . . 0.0 109.697 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.799 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -69.32 129.97 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.683 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -118.51 144.45 35.31 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.639 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 30.2 Cg_endo -63.77 -24.18 68.78 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.03 2.486 . . . . 0.0 112.589 -179.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.56 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.526 ' HB3' HD21 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.05 -30.14 63.49 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.944 178.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.799 HD11 HD11 ' A' ' 53' ' ' LEU . 62.8 mt -63.16 -46.85 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.215 0.531 . . . . 0.0 110.074 175.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.83 -36.48 84.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.174 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -66.48 -35.98 81.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.479 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.92 -46.78 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.458 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 25.2 m-85 -60.35 -48.91 79.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.78 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.15 -46.55 90.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.298 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.7 t -65.85 -39.18 90.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HB3' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -79.59 -21.26 45.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.569 0.223 . . . . 0.0 111.353 -178.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.99 -36.89 83.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.87 -22.98 66.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.964 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -72.83 -20.61 61.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.103 0.478 . . . . 0.0 110.444 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.66 49.55 0.96 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.798 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 65' ' ' LYS . 93.3 mt -99.26 139.91 34.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.7 m -72.91 145.76 86.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.293 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.56 -43.26 39.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.2 2.6 . . . . 0.0 112.99 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -32.33 73.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -73.71 -41.07 63.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.901 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.07 -36.01 76.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.825 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 80' ' ' VAL . 70.2 ttt180 -56.88 -46.62 81.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.385 176.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.61 -42.45 96.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.623 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.34 -41.47 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.335 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.458 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 47.2 t-80 -65.57 -39.13 91.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 76' ' ' ARG . 96.1 t -69.2 -53.33 26.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.217 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG21 ' HA ' ' A' ' 33' ' ' TYR . 14.9 p -62.14 -37.47 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.301 . . . . 0.0 110.915 -176.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 100' ' ' THR . 53.9 tp -65.85 -40.38 91.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.177 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -69.01 -43.75 74.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.501 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -67.69 -42.0 82.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.754 -175.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.74 -43.09 31.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.786 0.327 . . . . 0.0 111.347 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 22.2 mmt -83.02 5.29 22.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -175.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 55.1 p -66.35 -35.03 79.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -57.13 -36.08 70.25 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.783 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HB1' HD23 ' A' ' 95' ' ' LEU . . . -61.88 -48.27 81.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.155 0.502 . . . . 0.0 110.715 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.82 -44.84 76.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 87' ' ' SER . 44.0 mt-10 -66.41 -30.33 70.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.681 -176.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -84.41 -4.08 58.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.28 0.562 . . . . 0.0 110.006 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.63 9.94 86.62 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.32 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 3.4 pp -85.72 -15.74 41.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.067 0.461 . . . . 0.0 109.959 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.567 HD23 ' HB1' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -113.81 138.4 50.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 170.559 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.494 ' HG ' ' HG3' ' A' ' 97' ' ' GLN . 37.3 tp -58.47 -54.47 46.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.618 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 54.3 mt-30 -138.85 -171.01 2.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.249 -174.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -103.76 95.49 7.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.618 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 3.2 Cg_exo -77.24 -23.09 10.58 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.28 2.653 . . . . 0.0 112.205 -177.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.516 HG22 ' HG ' ' A' ' 82' ' ' LEU . 15.6 p -71.85 -21.03 61.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.309 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -91.89 -26.29 18.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.95 58.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.015 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.63 115.39 24.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.992 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -110.75 146.46 34.45 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.68 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 32.4 Cg_exo -57.93 139.69 91.26 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.024 2.483 . . . . 0.0 112.665 -179.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 7.6 Cg_exo -73.99 20.4 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.547 2.831 . . . . 0.0 112.878 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -65.05 -28.36 69.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.633 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.7 m80 61.89 75.43 0.43 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.266 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -73.22 141.29 32.1 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.375 2.05 . . . . 0.0 111.256 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.15 -22.63 18.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.512 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -114.54 104.88 12.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.179 0.514 . . . . 0.0 109.805 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -167.47 -60.1 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.463 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.1 t60 178.22 107.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -82.52 55.47 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.38 0.61 . . . . 0.0 111.093 -172.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -148.41 104.02 3.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.517 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -107.02 -42.73 4.82 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.072 175.334 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.5 ttm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.1 tt -64.46 110.52 1.0 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 112.338 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 174.88 101.76 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.95 -61.8 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.822 2.348 . . . . 0.0 111.959 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t 56.57 -161.93 0.19 Allowed 'General case' 0 C--O 1.233 0.196 0 O-C-N 123.717 0.636 . . . . 0.0 110.731 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -116.31 65.48 0.71 Allowed 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 173.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.2 78.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.808 0.813 . . . . 0.0 111.194 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.635 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.9 p -94.17 179.7 5.23 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.929 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.814 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 21.6 t -68.38 -35.97 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.717 -178.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' GLN . 9.2 pt-20 -61.28 -41.15 96.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.873 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 47.3 tt0 -77.25 -39.85 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.673 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -63.26 -52.34 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.361 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.749 HD13 HD21 ' A' ' 37' ' ' LEU . 75.9 mt -56.97 -53.56 56.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.26 -38.65 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.735 0.303 . . . . 0.0 111.61 -174.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -72.87 -53.66 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.084 0.469 . . . . 0.0 110.177 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.554 ' O ' ' HD1' ' A' ' 20' ' ' TYR . 5.6 t-105 -60.1 -45.74 91.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.684 -174.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD12 ' HE1' ' A' ' 20' ' ' TYR . 7.9 mp -56.99 -43.51 81.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.748 0.309 . . . . 0.0 111.05 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.9 m -63.68 -27.59 69.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.27 0.557 . . . . 0.0 110.604 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -85.37 -58.7 2.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.368 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.554 ' HD1' ' O ' ' A' ' 16' ' ' TRP . 7.2 p90 -93.48 -24.49 17.99 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -170.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -91.49 3.48 54.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.338 . . . . 0.0 111.278 -174.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -125.25 79.45 66.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.818 176.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.684 ' HD2' ' HB2' ' A' ' 28' ' ' SER . 96.3 Cg_endo -79.74 164.57 23.05 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.58 2.187 . . . . 0.0 112.706 -176.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -87.22 -23.0 24.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.784 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 25' ' ' LEU . 5.5 mp -91.3 107.42 19.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.474 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.4 tpt85 67.9 106.44 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.786 0.678 . . . . 0.0 110.138 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.03 132.7 54.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.744 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.684 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . 28.9 t -73.62 122.41 22.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.055 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 t -108.97 -178.23 3.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.781 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 62.16 93.41 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.03 0.532 . . . . 0.0 111.222 -176.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -90.49 6.64 42.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.473 ' O ' HG22 ' A' ' 36' ' ' VAL . 15.7 m -55.56 -33.87 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.317 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -57.84 -49.83 75.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.683 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 30.9 tt0 -63.18 -46.43 87.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.107 0.48 . . . . 0.0 110.238 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -57.94 -61.57 2.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.814 -176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 32' ' ' SER . 33.4 m -63.16 -33.52 61.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.479 -174.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.749 HD21 HD13 ' A' ' 13' ' ' LEU . 20.0 tp -62.53 -68.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.578 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 38.2 ptt180 -63.37 -41.74 98.83 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.417 -173.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.38 -38.45 83.94 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.285 0.366 . . . . 0.0 111.734 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -100.53 -55.73 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -174.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 37' ' ' LEU . 18.8 m -99.32 -10.8 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -165.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.58 ' HB ' ' HA ' ' A' ' 38' ' ' ARG . 1.2 mp -72.71 -48.48 8.67 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.078 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.2 Cg_endo -72.16 -10.36 25.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.776 1.651 . . . . 0.0 112.763 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 p -107.12 -67.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.872 -177.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 57' ' ' ASP . 54.7 mt -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 -175.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.814 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -64.4 -22.6 67.68 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.855 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -90.45 3.61 53.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.917 0.389 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -101.57 128.58 28.69 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.316 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.494 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 51.5 Cg_exo -56.33 143.59 85.59 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.848 2.365 . . . . 0.0 112.333 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 94' ' ' LEU . 98.1 mt -57.73 -33.45 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.772 -177.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -87.74 5.44 39.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -177.607 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.494 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 84.5 tttt -115.18 -30.85 6.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.26 119.75 3.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.503 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -99.37 156.52 35.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.262 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.64 -28.22 76.73 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.074 1.849 . . . . 0.0 110.601 171.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.39 82.69 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.953 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' HD22 ' A' ' 45' ' ' LEU . 38.4 m-20 -62.11 -45.95 91.2 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.187 177.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.4 HG23 HD23 ' A' ' 82' ' ' LEU . 62.7 mt -64.46 -43.58 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.513 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.83 -41.76 98.19 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.403 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -65.17 -35.42 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.05 -49.11 76.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 43.4 m-85 -67.52 -44.88 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.736 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.25 82.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.772 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.7 m -66.96 -33.17 74.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.604 ' HB3' HD12 ' A' ' 70' ' ' LEU . 3.7 mptp? -82.32 -27.98 31.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.074 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.21 -33.42 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.56 -25.34 68.0 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.843 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 m -79.23 -14.7 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.905 0.383 . . . . 0.0 110.514 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.64 55.58 0.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.565 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 65' ' ' LYS . 40.8 mt -99.0 135.12 40.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.236 0.541 . . . . 0.0 111.745 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.6 t -67.96 144.91 97.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.974 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.62 -32.57 36.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.468 2.779 . . . . 0.0 112.963 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 p -71.24 -37.79 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.524 0.202 . . . . 0.0 111.385 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -44.82 81.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.18 0.514 . . . . 0.0 109.685 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.5 t -62.97 -34.14 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.293 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -68.23 -35.42 77.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.06 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.88 -46.52 71.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.461 ' HA ' HG12 ' A' ' 81' ' ' VAL . 59.9 mt -64.95 -30.45 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.593 0.711 . . . . 0.0 109.699 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.546 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 49.9 t-80 -63.17 -53.81 47.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.379 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.37 -41.48 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.3 p -67.04 -42.48 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.689 0.281 . . . . 0.0 111.119 -176.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.4 HD23 HG23 ' A' ' 58' ' ' ILE . 20.7 tp -71.56 -39.43 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.62 -177.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.438 ' HA ' ' CG2' ' A' ' 100' ' ' THR . 3.3 m80 -67.54 -42.17 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.296 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.66 -44.89 55.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.94 95.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.912 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.456 ' HB2' HG21 ' A' ' 100' ' ' THR . 54.1 mtt -72.41 -23.53 61.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.586 0.232 . . . . 0.0 111.398 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 90' ' ' ARG . 58.5 m -66.51 -24.13 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.184 0.516 . . . . 0.0 110.134 176.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.84 -36.55 75.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.066 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.79 82.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.355 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 87' ' ' SER . 3.1 tpm_? -56.39 -52.69 63.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.714 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.07 -16.44 62.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.668 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -89.72 -9.36 49.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.3 5.32 79.82 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 50' ' ' LEU . 83.7 mt -84.26 -28.31 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.093 0.473 . . . . 0.0 110.263 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 97' ' ' GLN . 23.8 tp -120.18 129.15 53.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.099 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.815 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.3 pt? -84.6 -25.81 28.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.846 0.355 . . . . 0.0 111.717 -172.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 48.8 mt-30 -133.6 179.67 6.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -113.21 93.67 27.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.133 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -77.69 -12.33 16.65 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 123.066 2.51 . . . . 0.0 110.934 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.456 HG21 ' HB2' ' A' ' 86' ' ' MET . 14.8 p -66.89 -58.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.18 -16.03 61.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.0 110.783 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.59 -14.48 56.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.651 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.19 98.06 9.7 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -119.38 129.24 25.49 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.084 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.443 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 53.5 Cg_exo -53.14 -48.66 20.92 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 122.961 2.441 . . . . 0.0 113.582 174.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 105' ' ' PRO . 27.7 Cg_endo -63.55 102.07 0.33 Allowed 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 121.778 1.652 . . . . 0.0 111.985 175.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -95.72 134.83 38.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.419 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 111' ' ' GLU . 33.3 m170 -121.26 104.59 40.55 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.855 173.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 108' ' ' HIS . 18.4 Cg_endo -60.44 -77.99 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.874 2.383 . . . . 0.0 112.657 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.09 92.3 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.398 . . . . 0.0 110.026 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 108' ' ' HIS . 8.9 tp10 -115.83 -82.15 0.62 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.676 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 42.91 80.47 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.183 0.927 . . . . 0.0 111.457 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.471 ' O ' ' HB2' ' A' ' 114' ' ' HIS . 27.3 m170 -63.98 93.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -173.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 113' ' ' HIS . 12.6 t-80 175.41 -10.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.841 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.03 -76.31 0.1 Allowed 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.398 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 m170 62.33 179.31 0.13 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.192 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.245 0.835 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.674 177.337 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.7 tt -73.95 143.76 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.216 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 64.87 79.29 0.25 Allowed Pre-proline 0 N--CA 1.464 0.264 0 O-C-N 123.658 0.599 . . . . 0.0 111.061 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -97.1 1.13 1.7 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.268 2.646 . . . . 0.0 112.297 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.22 -58.79 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.416 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.6 tttt 58.29 78.94 0.22 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.428 0.632 . . . . 0.0 110.67 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.4 mt -99.09 86.69 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.152 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.611 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 1.3 p -86.6 171.31 11.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.488 ' HA ' HD21 ' A' ' 50' ' ' LEU . 58.8 t -55.55 -54.96 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.129 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' OE2' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -69.29 -21.77 63.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.3 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HG2' ' OE2' ' A' ' 10' ' ' GLU . 88.5 mm-40 -60.9 -49.3 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.565 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.466 ' HB3' HD11 ' A' ' 50' ' ' LEU . 84.9 t90 -77.06 -43.34 34.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.191 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.04 -48.86 79.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.57 -174.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.61 -45.02 94.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.606 0.241 . . . . 0.0 110.476 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -63.23 -51.46 66.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -57.53 -48.28 79.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.12 -53.51 56.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.57 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 m -67.82 -42.12 81.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.753 0.311 . . . . 0.0 111.809 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.1 -42.61 46.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -174.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -84.63 -30.52 24.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -172.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' LYS . . . -65.97 -48.27 71.84 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.718 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 8.5 mtmp? 72.28 133.82 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.026 -178.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 7.2 Cg_exo -74.06 41.1 0.63 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.358 2.705 . . . . 0.0 111.855 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -147.21 91.6 2.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.739 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.1 mt -151.76 145.36 24.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.533 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -82.68 113.22 20.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 63.47 -154.04 0.32 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.52 0.513 . . . . 0.0 110.714 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 t 71.78 18.68 5.1 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.751 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.7 m -78.55 -36.1 45.16 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.118 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -87.89 99.21 11.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.925 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' HG3' ' HD1' ' A' ' 33' ' ' TYR . 10.8 tp10 -143.37 136.07 27.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.891 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -92.23 -26.0 18.38 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -168.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.479 ' HB2' HG21 ' A' ' 81' ' ' VAL . 3.1 p90 -64.93 -28.01 69.24 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.452 -172.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 tt0 -60.5 -41.66 94.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -71.75 -53.29 13.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.3 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 33' ' ' TYR . 19.9 m -62.6 -37.22 78.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.588 -173.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.59 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.4 tp -64.05 -67.48 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.83 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.601 ' HA ' HD13 ' A' ' 42' ' ' ILE . 4.7 ptp180 -56.81 -38.25 72.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.217 -176.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.31 -38.0 87.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.66 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -100.38 -47.85 4.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.8 p -84.8 -25.42 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -169.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.4 mp -70.55 -50.27 14.29 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.5 -9.64 26.04 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.053 1.835 . . . . 0.0 113.642 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 45' ' ' LEU . 6.3 t -102.25 -55.57 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 -179.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD22 HD21 ' A' ' 53' ' ' LEU . 4.0 pp -125.37 5.24 7.69 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.469 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.66 -15.98 71.54 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.004 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -90.78 4.21 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 110.325 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -110.4 134.55 20.79 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.184 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.611 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 53.3 Cg_exo -53.99 139.82 70.03 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.789 2.326 . . . . 0.0 112.269 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 9' ' ' VAL . 81.0 mt -56.32 -39.42 72.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.199 -176.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -86.79 9.09 20.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.936 0.398 . . . . 0.0 111.252 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HE2' ' HG2' ' A' ' 49' ' ' PRO . 21.3 ttmm -115.19 -9.78 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.403 0.621 . . . . 0.0 109.399 174.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.486 HD21 HD22 ' A' ' 45' ' ' LEU . 3.2 tm? -67.74 122.13 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.761 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -101.15 139.46 20.49 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.593 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.529 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 11.2 Cg_endo -55.57 -28.69 66.28 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.3 2.666 . . . . 0.0 112.368 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.9 70.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HA ' ' HB3' ' A' ' 60' ' ' ARG . 2.2 t70 -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.63 -42.97 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.468 0.652 . . . . 0.0 109.69 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.44 -38.36 87.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.467 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.466 ' HB3' ' HA ' ' A' ' 57' ' ' ASP . 11.2 ttt180 -61.52 -38.63 88.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.248 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.6 -51.46 69.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.038 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 29.0 m-85 -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.19 59.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.044 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -64.61 -43.12 94.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.201 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.37 -42.79 96.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 0.0 110.143 175.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.66 -27.95 68.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.413 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -73.39 -19.19 61.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.09 20.09 5.34 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.34 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.2 tp -73.17 139.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 177.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -60.87 123.98 77.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HA ' HG12 ' A' ' 75' ' ' VAL . 53.1 Cg_exo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.165 2.577 . . . . 0.0 112.652 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 p -68.05 -40.46 82.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.101 0.476 . . . . 0.0 111.01 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 78' ' ' ILE . 97.2 mtt180 -72.74 -38.05 67.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 72' ' ' PRO . 8.3 p -71.58 -24.09 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.195 0.521 . . . . 0.0 110.198 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -68.63 -36.24 78.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.958 173.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -70.04 -42.62 72.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.943 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 75' ' ' VAL . 92.1 mt -57.38 -41.42 78.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.613 176.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.454 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 39.5 t-80 -56.94 -46.57 81.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 p -78.75 -34.88 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 33' ' ' TYR . 12.4 p -77.1 -34.82 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.755 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 tt -67.93 -38.54 83.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.524 ' HA ' HG21 ' A' ' 100' ' ' THR . 53.6 t-80 -55.47 -43.17 75.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.536 175.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.56 -52.8 55.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.75 70.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -172.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.0 tpt -70.15 -21.18 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -171.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.5 m -67.43 -19.57 65.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 110.91 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.93 -19.4 61.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.37 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 94' ' ' LEU . . . -64.63 -32.52 74.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -73.43 -35.91 65.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.107 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.605 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 t -71.89 -15.53 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.66 8.52 84.5 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.923 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 89' ' ' ALA . 4.2 pp -83.97 -20.82 32.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.093 0.473 . . . . 0.0 110.527 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 95' ' ' LEU . 14.4 tp -124.17 132.2 53.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.805 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.3 pt? -79.44 -25.78 41.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.769 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -134.83 177.14 8.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.486 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.415 ' HB3' ' HG2' ' A' ' 101' ' ' GLU . 19.1 t30 -108.27 116.32 56.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -80.48 -11.26 13.09 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.617 2.211 . . . . 0.0 113.083 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.524 HG21 ' HA ' ' A' ' 83' ' ' HIS . 12.4 p -76.78 -19.72 57.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 111.685 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 98' ' ' ASN . 17.0 mm-40 -72.29 -26.96 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 0.0 110.802 -176.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.529 ' HB3' ' HB2' ' A' ' 55' ' ' PRO . . . -95.41 10.31 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.034 -174.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.4 102.9 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.478 ' HD2' ' HG3' ' A' ' 109' ' ' PRO . 44.6 mmtm -113.59 101.99 54.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.827 -176.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HB2' ' HD3' ' A' ' 106' ' ' PRO . 32.1 Cg_exo -59.57 -50.09 8.91 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.676 2.251 . . . . 0.0 113.448 170.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 105' ' ' PRO . 95.8 Cg_endo -79.0 150.26 23.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 121.584 1.523 . . . . 0.0 112.217 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -97.83 7.6 46.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.093 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.559 ' N ' ' HD2' ' A' ' 109' ' ' PRO . 74.0 t60 -63.79 -45.89 81.79 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.695 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 108' ' ' HIS . 14.8 Cg_endo -58.74 152.49 56.27 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.683 1.589 . . . . 0.0 111.5 174.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 78.9 mt 62.56 67.18 0.72 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.15 0.5 . . . . 0.0 110.189 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.41 -13.69 52.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.056 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 68.18 29.85 5.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.283 0.564 . . . . 0.0 110.677 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -106.59 -174.44 2.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -65.38 102.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.01 0.433 . . . . 0.0 111.107 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.437 ' H ' ' H ' ' A' ' 116' ' ' HIS . 85.3 t60 -171.09 1.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.062 -178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.437 ' H ' ' H ' ' A' ' 115' ' ' HIS . 74.4 t60 -96.31 116.54 29.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.079 0.466 . . . . 0.0 111.085 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 . . . . . 0 C--O 1.244 0.777 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.299 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.606 0.241 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -88.43 137.54 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.909 0.385 . . . . 0.0 110.294 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -145.32 126.56 7.6 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -48.56 -65.47 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.537 2.825 . . . . 0.0 113.161 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.572 ' HA ' ' HG3' ' A' ' 49' ' ' PRO . 59.7 p 47.16 -96.35 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.545 0.738 . . . . 0.0 112.453 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 62.63 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.386 0.674 . . . . 0.0 111.291 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 tt -96.42 75.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 122.24 1.019 . . . . 0.0 109.879 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.746 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 1.8 m -99.9 170.57 8.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.03 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.499 ' H ' HG22 ' A' ' 8' ' ' THR . 41.1 t -57.38 -45.51 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.676 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.746 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -64.17 -34.75 78.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -72.15 -42.55 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.434 ' HB2' HD11 ' A' ' 50' ' ' LEU . 24.0 t90 -64.38 -52.06 60.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.72 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.98 -38.61 79.52 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.164 0.29 . . . . 0.0 111.001 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -59.92 -45.09 93.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -76.03 -37.6 58.2 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.575 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -51.65 -56.99 10.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.358 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 18' ' ' THR . 4.0 pp -69.01 -35.07 76.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.365 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.451 ' N ' HD12 ' A' ' 17' ' ' LEU . 38.7 m -70.6 -36.75 73.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.945 0.403 . . . . 0.0 111.401 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -93.6 -46.63 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.572 -174.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -94.43 1.29 55.8 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -169.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -60.65 -58.31 9.01 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.935 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 15.0 tptt 54.79 81.94 0.25 Allowed Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.974 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.91 -48.2 19.54 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.708 2.272 . . . . 0.0 112.397 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 66.53 -71.62 0.09 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.829 0.705 . . . . 0.0 111.076 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.4 tp -162.31 75.15 0.44 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.577 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.8 mtm105 62.97 22.91 13.73 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.646 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -101.28 93.44 5.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.33 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -165.93 95.44 0.6 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.462 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -131.6 148.92 52.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.22 -177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 61.3 m95 58.91 59.18 2.91 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.135 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.75 9.92 41.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -59.47 -21.36 59.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.565 -173.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.46 ' HB2' HG23 ' A' ' 81' ' ' VAL . 50.5 p90 -71.97 -20.11 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.249 -0.282 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' CD ' ' HE ' ' A' ' 38' ' ' ARG . 14.7 tm-20 -71.77 -32.54 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -63.6 -56.01 19.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.765 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.93 -37.36 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.733 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.595 ' O ' HG12 ' A' ' 41' ' ' VAL . 70.7 mt -59.18 -66.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.975 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HB2' HD12 ' A' ' 42' ' ' ILE . 8.0 ptp180 -59.78 -33.94 72.36 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -176.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.72 -34.79 78.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.321 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.424 ' O ' HG22 ' A' ' 44' ' ' THR . 78.9 m80 -100.09 -45.28 5.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -175.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 37' ' ' LEU . 11.6 p -80.73 -37.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 38' ' ' ARG . 47.2 mt -66.52 -50.3 47.65 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD3' ' HB ' ' A' ' 42' ' ' ILE . 29.7 Cg_exo -63.34 -30.81 73.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.802 1.668 . . . . 0.0 113.847 -177.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.566 HG23 HD13 ' A' ' 45' ' ' LEU . 7.0 t -107.26 -22.97 12.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -171.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.784 ' HG ' HD12 ' A' ' 48' ' ' ILE . 5.4 mp -127.52 23.48 6.32 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.25 3.36 58.65 Favored Glycine 0 C--N 1.329 0.151 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.838 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -106.02 8.44 32.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.446 0.641 . . . . 0.0 109.532 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.784 HD12 ' HG ' ' A' ' 45' ' ' LEU . 62.6 mt -117.68 115.44 37.25 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.055 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.726 ' HD2' ' HD3' ' A' ' 52' ' ' LYS . 23.8 Cg_exo -62.99 154.53 66.42 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.967 2.445 . . . . 0.0 111.786 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 12' ' ' TRP . 84.2 mt -57.18 -37.3 71.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.739 -176.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -88.6 3.49 50.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.338 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.726 ' HD3' ' HD2' ' A' ' 49' ' ' PRO . 50.5 tttp -105.2 -15.91 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 58' ' ' ILE . 2.9 tm? -63.57 105.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.815 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 13.8 mm100 -105.57 160.91 24.45 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.083 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.04 -29.91 67.45 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.698 2.266 . . . . 0.0 112.177 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . . . -67.56 -28.75 68.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 111.071 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.42 -30.49 42.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.132 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 99' ' ' PRO . 59.1 mt -74.33 -38.75 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.879 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.46 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 10.7 pt20 -66.84 -32.25 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.963 176.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -58.02 -42.5 85.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.37 -58.08 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.93 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.596 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 20.8 m-85 -57.81 -48.75 78.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.735 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.16 86.09 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -61.47 -35.73 78.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.981 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.864 ' HB3' HD12 ' A' ' 70' ' ' LEU . 10.0 mptt -88.23 -29.61 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.723 -177.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.19 -28.59 69.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.882 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.3 m -72.67 -12.85 61.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.5 13.39 7.48 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.426 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.864 HD12 ' HB3' ' A' ' 65' ' ' LYS . 42.4 mt -73.77 142.8 46.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.228 0.514 . . . . 0.0 110.525 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -83.54 149.01 56.61 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.17 -30.51 41.72 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.943 2.428 . . . . 0.0 112.764 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -70.98 -44.41 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.579 ' HG2' HD22 ' A' ' 70' ' ' LEU . 10.8 tpp180 -60.56 -45.42 93.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.026 176.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 -36.16 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.917 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.01 -38.0 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.906 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.61 -49.38 75.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.823 0.344 . . . . 0.0 110.181 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.545 ' HA ' HG12 ' A' ' 81' ' ' VAL . 37.2 mm -53.81 -37.79 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.072 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.596 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 54.2 t-80 -62.26 -43.83 97.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 83' ' ' HIS . 61.9 t -69.47 -46.17 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.065 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 78' ' ' ILE . 8.3 p -69.99 -31.07 46.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.206 -177.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.5 tp -69.31 -33.19 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.242 0.544 . . . . 0.0 109.578 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' VAL . 44.6 t-80 -60.55 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.846 174.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.81 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.681 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.51 -51.76 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.457 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -33.03 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.056 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.7 m -64.46 -41.79 96.31 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.539 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -61.96 -41.62 98.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.121 0.486 . . . . 0.0 110.268 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 15.0 ttp180 -54.63 -54.63 38.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.121 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.53 9.24 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.872 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -117.7 7.88 12.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.213 0.53 . . . . 0.0 109.786 173.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 12.93 83.35 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.847 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.21 -17.48 23.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.411 . . . . 0.0 110.572 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 24.2 tp -142.34 125.37 16.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.375 177.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.703 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.5 pt? -79.57 -18.64 51.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -133.32 168.71 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.603 0.24 . . . . 0.0 111.165 -174.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.17 95.46 15.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.63 0.729 . . . . 0.0 109.706 169.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 13.0 Cg_exo -69.76 -21.2 33.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.771 2.314 . . . . 0.0 112.62 -172.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.3 p -62.64 -37.37 86.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.712 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.26 -18.98 61.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.24 -6.68 19.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.448 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.95 96.71 10.59 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.401 0.619 . . . . 0.0 110.781 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -130.53 129.19 22.72 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.573 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 25.5 Cg_exo -62.78 112.38 1.62 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.444 2.096 . . . . 0.0 111.657 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 1.2 Cg_endo -83.81 150.68 12.75 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.052 2.501 . . . . 0.0 112.035 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -83.4 -162.35 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.509 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 60.96 65.0 2.11 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -176.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -55.06 -66.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.75 2.967 . . . . 0.0 114.77 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 110' ' ' LEU . 3.1 mm? 62.29 90.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.839 -166.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.413 ' C ' ' H ' ' A' ' 113' ' ' HIS . 2.0 mp0 -60.71 159.78 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.165 -177.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -78.65 37.01 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.783 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' A' ' 111' ' ' GLU . 60.8 m-70 67.15 -70.18 0.12 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.351 -173.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -145.19 130.89 18.97 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -73.55 -61.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.87 -175.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.7 t60 67.2 119.34 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.956 0.785 . . . . 0.0 111.431 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 31.1 t60 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.983 177.161 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.5 pt -132.18 3.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.355 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 36.77 71.98 0.87 Allowed Pre-proline 0 N--CA 1.472 0.627 0 O-C-N 124.01 0.819 . . . . 0.0 111.83 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -85.87 -170.87 0.77 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.649 2.232 . . . . 0.0 112.408 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -62.26 128.08 34.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -84.85 152.79 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.87 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.424 HG12 HE22 ' A' ' 11' ' ' GLN . 59.9 mt 65.45 79.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 110.168 -175.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -122.61 -169.79 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.755 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.537 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 64.1 t -58.13 -49.01 83.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -173.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -34.49 76.1 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.67 -172.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.424 HE22 HG12 ' A' ' 7' ' ' ILE . 27.7 tt0 -66.77 -43.06 85.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.884 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.482 ' HE3' HD22 ' A' ' 13' ' ' LEU . 21.8 t90 -65.68 -51.08 62.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.482 HD22 ' HE3' ' A' ' 12' ' ' TRP . 4.5 mm? -63.84 -45.58 88.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.425 HD22 ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -58.18 -36.91 73.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.059 -179.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -65.52 -46.52 79.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.619 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 33.7 t-105 -56.6 -45.5 81.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.6 mm? -65.33 -40.41 93.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.393 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.54 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . 11.9 m -80.22 -28.31 38.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.893 0.377 . . . . 0.0 111.633 -175.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -73.73 -34.91 64.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.126 0.489 . . . . 0.0 110.242 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.42 7.11 42.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.042 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' HA ' ' A' ' 18' ' ' THR . . . -44.01 -37.62 3.07 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -94.54 102.57 9.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 69.3 Cg_endo -92.05 -173.01 0.45 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.143 2.562 . . . . 0.0 113.473 -172.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -106.74 -146.55 0.4 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.62 -146.6 0.28 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 60.66 44.12 11.75 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.495 0.664 . . . . 0.0 109.65 -172.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' H ' ' HG2' ' A' ' 27' ' ' GLN . 20.5 pt20 -76.82 53.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.309 -174.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.2 m -93.63 -9.67 37.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.295 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -127.86 155.7 43.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.663 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -132.89 -175.91 3.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -85.38 21.1 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.387 -174.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 m -63.48 -40.09 96.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.752 0.311 . . . . 0.0 111.659 -176.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -74.11 -17.39 60.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.643 0.258 . . . . 0.0 111.213 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -79.07 -30.16 43.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 m -61.49 -59.5 5.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.308 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.526 HG21 ' HE2' ' A' ' 77' ' ' TYR . 29.1 m -61.41 -36.1 70.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.035 0.445 . . . . 0.0 110.859 -178.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.8 tp -65.3 -56.95 9.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.353 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.667 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -61.06 -38.98 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.656 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.93 -41.63 91.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.008 -172.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -92.24 -48.8 6.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 42' ' ' ILE . 14.8 p -100.49 -20.5 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.667 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.5 mp -69.91 -49.85 18.69 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 121.844 -0.535 . . . . 0.0 112.094 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.632 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 6.6 Cg_exo -75.55 -5.0 16.04 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.073 1.849 . . . . 0.0 112.708 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -107.09 -67.29 0.96 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.822 0.344 . . . . 0.0 111.69 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.68 3.18 34.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 0.0 110.799 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.537 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -65.28 -27.42 72.4 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.057 -178.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 m -95.74 23.93 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.039 0.447 . . . . 0.0 111.112 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 9' ' ' VAL . 68.3 mt -118.69 131.87 24.11 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.56 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.47 144.83 90.97 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.625 2.217 . . . . 0.0 112.099 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.67 -23.59 66.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -83.29 -17.58 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.499 177.492 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -99.35 -16.67 18.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.846 HD11 HD11 ' A' ' 58' ' ' ILE . 3.3 tm? -59.83 121.02 10.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -109.0 146.6 34.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.731 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.03 -27.95 86.01 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.739 2.293 . . . . 0.0 111.75 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.94 -47.23 77.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.33 -29.53 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.299 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.846 HD11 HD11 ' A' ' 53' ' ' LEU . 59.8 mt -69.16 -47.53 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.382 . . . . 0.0 110.221 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.36 -37.61 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.215 0.531 . . . . 0.0 109.79 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -59.72 -45.48 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.737 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.63 -50.87 64.78 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.94 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.421 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 35.9 m-85 -61.07 -54.39 45.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.106 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.68 99.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.825 -173.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' HB3' ' A' ' 67' ' ' GLU . 38.6 t -66.81 -44.98 79.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.677 -176.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -87.6 -21.44 25.35 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.136 -175.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.74 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 65.6 tp -63.56 -31.95 73.27 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 167.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 64' ' ' SER . 30.0 tt0 -73.25 -35.66 66.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.723 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -66.07 -39.06 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.17 42.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.631 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.74 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 62.6 mt -99.13 156.22 17.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.087 0.443 . . . . 0.0 110.683 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.2 p -95.69 147.81 33.59 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.747 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.42 -36.55 88.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.849 2.366 . . . . 0.0 112.042 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.57 -37.22 84.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.645 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.8 tpt180 -73.82 -36.98 65.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.645 HG21 HD13 ' A' ' 66' ' ' LEU . 86.8 t -63.25 -41.88 94.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.718 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.526 ' HE2' HG21 ' A' ' 36' ' ' VAL . 85.7 t80 -59.85 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 74' ' ' ARG . 76.0 mt -59.33 -40.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.421 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 26.8 t-80 -62.84 -46.89 85.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.083 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.17 -34.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -175.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.42 -39.66 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.476 ' HG ' HG21 ' A' ' 100' ' ' THR . 51.9 tp -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 177.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.604 ' CD2' ' HB2' ' A' ' 101' ' ' GLU . 53.2 t-80 -59.61 -48.31 82.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.408 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -67.74 -50.46 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.433 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 88' ' ' GLN . . . -68.01 -32.15 72.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.677 -173.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.51 ' SD ' ' HD2' ' A' ' 99' ' ' PRO . 54.3 ttm -78.07 -19.2 54.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.38 . . . . 0.0 110.725 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 74.4 m -61.02 -38.75 87.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.324 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 85' ' ' ALA . 12.8 pt20 -65.35 -25.67 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.034 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -75.35 -37.41 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.506 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 61.1 ttp180 -65.37 -49.88 67.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.964 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 87' ' ' SER . 13.3 mm-40 -63.41 -29.82 71.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.958 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 t -65.65 -22.69 66.67 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.783 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.0 -15.69 51.25 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.683 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.558 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.2 pp -74.91 -18.99 60.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 0.0 110.111 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 40.0 tp -130.14 132.74 46.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.614 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.695 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.1 pt? -96.9 -28.63 14.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.731 0.3 . . . . 0.0 111.528 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.58 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 47.8 mt-30 -110.43 153.2 25.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.639 -175.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -110.23 94.62 18.85 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HG2' HD12 ' A' ' 53' ' ' LEU . 7.2 Cg_exo -74.26 -18.79 20.42 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.183 2.589 . . . . 0.0 113.169 -172.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.476 HG21 ' HG ' ' A' ' 82' ' ' LEU . 78.8 p -63.81 -40.23 96.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 0.0 111.315 -176.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.604 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 10.8 tt0 -85.31 -24.59 27.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.437 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.3 63.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.616 0.722 . . . . 0.0 109.724 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.35 95.92 10.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.307 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 33.0 ttpt -129.89 98.0 22.67 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.492 ' O ' ' HD3' ' A' ' 107' ' ' ARG . 39.2 Cg_endo -69.19 116.57 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.126 1.884 . . . . 0.0 110.855 173.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 6.0 Cg_exo -78.78 101.66 1.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.849 2.366 . . . . 0.0 113.059 -175.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -93.34 113.62 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 171.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -130.14 79.71 72.29 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -172.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.81 -15.62 18.91 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.683 2.256 . . . . 0.0 110.594 169.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.78 107.71 4.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.692 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -88.61 130.03 35.37 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.39 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -132.18 6.45 4.2 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -91.47 10.81 26.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.836 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -98.88 142.62 30.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -63.92 123.38 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.496 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -131.61 -164.22 1.42 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.449 -170.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.867 -179.167 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.628 0.251 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.2 mm 61.83 93.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.485 0.66 . . . . 0.0 110.65 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -81.96 152.7 69.05 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.497 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.16 124.89 17.26 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.401 2.067 . . . . 0.0 111.243 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p -75.93 156.05 34.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.869 0.366 . . . . 0.0 111.202 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 33.4 ttmt -71.5 96.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.938 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.581 ' CG1' ' HB3' ' A' ' 49' ' ' PRO . 9.1 tt -124.48 -46.63 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.134 -173.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.589 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m -80.38 145.82 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.686 0.279 . . . . 0.0 110.947 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.505 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 46.9 t -70.45 -51.55 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.329 -175.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -20.97 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 111.563 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.89 HE21 ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -68.78 -54.41 16.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.969 -179.004 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.451 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 65.1 p-90 -76.55 -22.64 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.411 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -45.75 91.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.206 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.48 -48.24 82.39 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.764 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -66.13 -38.81 89.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -55.03 -57.18 12.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.61 -27.92 68.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.259 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.0 m -74.56 -47.61 31.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.099 0.476 . . . . 0.0 111.09 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.36 -47.17 35.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.438 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -71.48 -21.19 61.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.139 -175.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -21.62 66.63 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.027 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 7.0 ttpm? 68.08 92.86 0.06 OUTLIER Pre-proline 0 C--O 1.232 0.138 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.986 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.33 1.12 5.12 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.19 2.593 . . . . 0.0 113.026 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -76.94 -20.19 56.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.343 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 mt -128.24 152.27 48.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.84 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -94.09 124.56 38.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.977 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 65.54 101.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.789 0.681 . . . . 0.0 111.826 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t -86.84 -72.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.797 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 p -150.65 157.66 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.852 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -98.16 86.44 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.976 0.893 . . . . 0.0 110.247 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 38.2 mt-10 -76.44 107.01 8.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.756 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 p -68.7 -38.71 80.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.122 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.591 ' HA ' HG22 ' A' ' 36' ' ' VAL . 22.7 p90 -68.16 -15.13 63.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -64.61 -42.59 95.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 110.146 174.251 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 m -75.91 -48.61 20.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.915 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 33' ' ' TYR . 18.9 m -56.38 -37.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.419 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.0 tp -61.89 -66.3 0.56 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.52 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.639 ' O ' ' HB ' ' A' ' 42' ' ' ILE . 29.6 ptt85 -62.83 -30.63 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.631 -175.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.95 -34.96 78.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.542 0.21 . . . . 0.0 111.558 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -99.53 -41.25 7.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -174.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 37' ' ' LEU . 12.8 p -100.42 -25.3 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -171.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.639 ' HB ' ' O ' ' A' ' 38' ' ' ARG . 1.2 mp -66.07 -43.27 56.04 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.762 -0.586 . . . . 0.0 112.255 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 16.5 Cg_exo -70.61 -13.84 32.89 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 112.688 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' HB ' HD22 ' A' ' 45' ' ' LEU . 16.8 p -107.39 -68.2 0.91 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 HD12 ' A' ' 48' ' ' ILE . 2.6 mm? -103.39 -7.16 21.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.797 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 42' ' ' ILE . . . -65.73 -21.4 69.17 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 113.433 -175.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -98.3 9.02 44.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 110.027 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.439 HD12 HD12 ' A' ' 45' ' ' LEU . 68.6 mt -106.28 129.39 24.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.231 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.581 ' HB3' ' CG1' ' A' ' 7' ' ' ILE . 9.8 Cg_endo -54.13 137.01 69.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 123.13 2.553 . . . . 0.0 112.715 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.23 -26.88 61.45 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.456 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -77.65 -17.85 57.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.3 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.518 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 62.6 tttp -115.7 -3.06 12.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 0.0 110.404 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.879 HD11 HD11 ' A' ' 58' ' ' ILE . 3.2 tm? -65.43 119.9 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.803 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -106.68 138.79 19.87 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.083 -177.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 58' ' ' ILE . 18.5 Cg_endo -59.94 -30.51 91.91 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.069 2.513 . . . . 0.0 112.482 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.14 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.78 -25.67 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.157 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.879 HD11 HD11 ' A' ' 53' ' ' LEU . 73.2 mt -69.34 -47.99 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.166 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -65.46 -37.37 86.68 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -55.5 -45.49 77.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.556 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.79 -48.68 74.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 31.1 m-85 -62.91 -45.32 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.722 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.86 87.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.057 0.456 . . . . 0.0 111.086 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -65.82 -35.58 81.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.047 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.97 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.785 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' OE1' ' HA ' ' A' ' 115' ' ' HIS . 42.6 mt-10 -66.65 -20.91 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.165 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.6 t -76.22 -42.54 45.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.382 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.86 43.84 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.03 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 mt -99.14 139.84 34.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.36 . . . . 0.0 110.508 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -83.65 146.12 49.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.41 -39.87 16.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.608 2.872 . . . . 0.0 113.457 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -64.69 -44.31 90.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.076 0.465 . . . . 0.0 111.133 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 78' ' ' ILE . 73.4 mtp180 -66.24 -38.79 88.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.282 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.38 -43.32 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.809 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.29 -23.59 64.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.61 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HA ' HG12 ' A' ' 80' ' ' VAL . 35.7 t80 -70.97 -46.89 61.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 74' ' ' ARG . 43.7 mm -59.36 -34.44 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.515 0.674 . . . . 0.0 110.33 174.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.59 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.7 t-80 -67.81 -42.27 81.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.071 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 77' ' ' TYR . 7.7 p -79.73 -29.47 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.537 -174.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 33' ' ' TYR . 11.1 p -73.08 -39.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.465 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.631 ' HG ' HG21 ' A' ' 100' ' ' THR . 31.8 tp -70.61 -31.61 68.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.297 0.57 . . . . 0.0 109.515 176.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.707 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -66.32 -51.57 55.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.91 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.78 69.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.116 -175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.3 mtt -74.55 -17.35 60.75 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -69.44 -35.56 75.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 109.969 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.26 -40.23 89.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.37 85.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 53.7 ttp85 -59.13 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.808 176.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.24 -2.56 45.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.995 0.426 . . . . 0.0 111.189 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.4 t -95.09 -3.94 47.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.097 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.03 20.4 65.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -94.17 -27.45 16.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.11 0.481 . . . . 0.0 110.103 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 20.8 tp -142.87 139.98 31.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.455 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.804 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.9 pt? -92.38 -14.94 27.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -174.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.554 ' HG3' ' HG ' ' A' ' 96' ' ' LEU . 48.6 mt-30 -133.69 178.07 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -120.6 96.29 48.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.773 0.797 . . . . 0.0 110.548 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.31 -19.64 19.45 Favored 'Trans proline' 0 N--CA 1.467 -0.078 0 C-N-CA 122.831 2.354 . . . . 0.0 112.885 -174.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.631 HG21 ' HG ' ' A' ' 82' ' ' LEU . 5.0 p -71.28 -33.65 69.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.973 0.416 . . . . 0.0 111.399 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -82.98 -26.08 31.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.13 -20.37 59.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.244 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.05 92.61 9.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.637 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.43 ' HG3' ' HD3' ' A' ' 106' ' ' PRO . 17.8 ptpt -131.31 153.86 81.78 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.765 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -103.18 82.89 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.322 2.681 . . . . 0.0 112.961 172.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.43 ' HD3' ' HG3' ' A' ' 104' ' ' LYS . 69.0 Cg_endo -80.9 -30.82 1.59 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.953 1.769 . . . . 0.0 110.911 174.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -146.77 -77.6 0.18 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.959 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.5 t60 49.37 94.3 0.05 OUTLIER Pre-proline 0 N--CA 1.469 0.483 0 O-C-N 124.116 0.885 . . . . 0.0 111.956 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -62.23 164.5 17.2 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.621 2.214 . . . . 0.0 111.759 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.93 94.77 8.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.308 0.575 . . . . 0.0 109.962 -176.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -123.88 176.72 6.14 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.967 -176.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.6 m170 73.81 -49.65 0.68 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.259 0.623 . . . . 0.0 111.747 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -162.18 154.53 19.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.69 0.281 . . . . 0.0 110.735 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -84.55 -35.72 22.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.481 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 72.1 t60 -162.32 126.25 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.603 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -99.38 149.0 23.61 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 174.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.92 -179.339 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.903 0.383 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.9 pt -98.32 -166.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.459 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -95.81 122.66 58.09 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.908 0.385 . . . . 0.0 110.729 -178.688 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 21.9 Cg_exo -65.3 122.16 9.8 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.646 2.231 . . . . 0.0 111.306 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -73.29 87.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.451 0.643 . . . . 0.0 111.435 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -91.49 121.99 33.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.918 172.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.8 mm -58.14 110.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.59 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -84.53 154.95 22.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.424 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.643 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 81.2 t -60.2 -38.79 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.673 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HB3' HG23 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -74.42 -30.34 61.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.2 -47.76 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -61.57 -44.64 96.65 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.669 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -59.49 -47.25 86.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.529 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.84 -44.0 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.1 0.476 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -62.99 -46.56 87.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.102 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.511 ' HZ2' ' HB3' ' A' ' 88' ' ' GLN . 64.9 t-105 -57.87 -51.77 68.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.686 -177.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.6 pp -63.3 -27.82 69.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.31 . . . . 0.0 110.956 -177.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 m -77.81 -38.39 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.438 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.13 -35.99 41.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.318 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -99.7 5.81 45.68 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -54.32 -52.14 62.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.501 0.191 . . . . 0.0 110.82 175.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.6 tptt 56.68 79.8 0.31 Allowed Pre-proline 0 CA--C 1.534 0.354 0 O-C-N 123.875 0.734 . . . . 0.0 110.568 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -80.56 29.77 0.51 Allowed 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.758 2.972 . . . . 0.0 113.231 -173.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -89.08 -61.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.907 0.384 . . . . 0.0 110.166 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HG ' ' HD3' ' A' ' 26' ' ' ARG . 39.8 tp -121.95 118.34 28.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.472 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HD3' ' HG ' ' A' ' 25' ' ' LEU . 2.6 mpt_? 66.62 88.67 0.11 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.101 177.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.43 HE21 ' HB2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -81.14 123.29 28.3 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.218 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 p -86.9 -106.26 0.06 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.659 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 30' ' ' TRP . 4.1 m 62.24 172.5 0.13 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.595 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' H ' HG22 ' A' ' 29' ' ' THR . 78.6 m95 72.73 -34.9 0.31 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 171.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' HB3' ' HD1' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -57.15 149.04 20.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.491 0.663 . . . . 0.0 112.647 -175.461 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.5 m -69.29 -12.02 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.746 -173.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.46 ' HB2' HG23 ' A' ' 81' ' ' VAL . 4.6 p90 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 tp10 -65.28 -44.81 86.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -66.42 -53.34 36.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.604 -176.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -61.65 -38.11 79.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 120.715 0.293 . . . . 0.0 111.652 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 41' ' ' VAL . 22.5 tp -61.22 -63.95 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 -177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.708 ' HB3' HD12 ' A' ' 42' ' ' ILE . 11.3 ptp180 -63.41 -38.53 91.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.816 -176.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.63 -37.95 80.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -100.6 -51.65 3.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 37' ' ' LEU . 8.7 p -101.17 -17.85 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 38' ' ' ARG . 2.1 mt -71.36 -48.19 12.93 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -174.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.663 ' HD3' ' O ' ' A' ' 38' ' ' ARG . 4.1 Cg_exo -77.47 -6.68 16.48 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.742 1.628 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.503 HG21 ' HE3' ' A' ' 65' ' ' LYS . 20.6 p -100.93 -67.23 0.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.527 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.1 mt -93.45 3.21 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 0.0 111.011 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.643 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -69.2 -12.44 65.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.417 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -95.76 2.0 53.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.863 0.363 . . . . 0.0 110.516 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.3 mt -105.33 119.1 54.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.193 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.56 139.42 75.63 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.671 2.247 . . . . 0.0 112.074 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB3' HD21 ' A' ' 95' ' ' LEU . 86.6 mt -57.66 -33.77 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.009 -175.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.69 -1.91 52.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.769 0.319 . . . . 0.0 111.185 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -107.77 -33.26 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.58 118.23 2.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.272 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -109.28 161.68 22.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.511 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.07 -31.86 91.49 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.738 2.292 . . . . 0.0 112.131 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.12 96.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.204 0.526 . . . . 0.0 110.099 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.447 HG22 ' CE2' ' A' ' 62' ' ' TYR . 52.4 mt -67.91 -43.52 85.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.004 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.27 -42.67 99.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.363 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -57.82 -42.38 84.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.441 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.479 HD22 ' HD3' ' A' ' 65' ' ' LYS . 2.9 tm? -57.07 -54.93 41.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.967 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.512 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 21.7 m-85 -58.89 -46.6 87.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.27 -50.7 71.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.441 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.7 t -65.57 -38.71 90.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HE3' HG21 ' A' ' 44' ' ' THR . 3.7 mptp? -78.12 -36.69 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.44 -177.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.722 ' HA ' ' HB2' ' A' ' 70' ' ' LEU . 62.1 tp -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.75 -30.87 69.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.057 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 t -76.8 -10.03 59.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.65 51.66 0.41 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.115 177.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.722 ' HB2' ' HA ' ' A' ' 66' ' ' LEU . 29.3 mt -98.65 152.29 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.603 0.24 . . . . 0.0 110.379 174.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.466 ' HB3' ' HD3' ' A' ' 74' ' ' ARG . 9.3 t -90.32 136.2 28.79 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.632 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 76.7 Cg_exo -51.3 -33.45 45.56 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.089 2.526 . . . . 0.0 112.832 -176.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -60.42 -44.8 95.4 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.365 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.587 ' O ' HG13 ' A' ' 78' ' ' ILE . 3.1 mpt_? -71.36 -39.57 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.221 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.581 HG21 HD13 ' A' ' 66' ' ' LEU . 52.4 t -56.12 -39.78 60.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 123.36 0.413 . . . . 0.0 110.381 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 68.5 mtt-85 -63.29 -45.54 90.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.515 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.94 -35.27 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.016 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 74' ' ' ARG . 73.0 mt -61.72 -34.7 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.883 0.373 . . . . 0.0 110.189 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.512 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 62.9 t-80 -67.21 -40.43 86.43 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 76' ' ' ARG . 84.5 t -64.32 -51.81 63.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 78' ' ' ILE . 10.2 p -65.81 -37.13 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.154 -177.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.24 -42.27 93.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -64.68 -42.82 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.002 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.06 -52.65 64.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.389 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 -44.05 63.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.5 tpp -80.45 -13.19 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.572 ' HA ' ' OD1' ' A' ' 98' ' ' ASN . 79.8 p -63.66 -35.08 79.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.022 0.439 . . . . 0.0 110.34 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.511 ' HB3' ' HZ2' ' A' ' 16' ' ' TRP . 15.1 mm100 -62.98 -29.98 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.659 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -63.97 -42.86 97.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.282 0.563 . . . . 0.0 110.275 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.489 ' HD3' ' HA ' ' A' ' 97' ' ' GLN . 16.0 ttp180 -68.96 -45.68 70.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.587 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -73.3 -12.49 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.61 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.3 t -85.36 -34.4 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.74 25.73 6.74 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.751 -0.738 . . . . 0.0 113.195 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.659 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.6 pp -106.19 -16.6 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.052 0.454 . . . . 0.0 110.17 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -118.53 132.69 56.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.562 176.595 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.41 -51.13 70.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.483 0.489 . . . . 0.0 110.68 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 11.4 pt20 -147.86 176.0 10.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.399 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.572 ' OD1' ' HA ' ' A' ' 87' ' ' SER . 3.6 m120 -102.0 110.87 63.4 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -63.07 -10.77 21.9 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.024 2.483 . . . . 0.0 112.595 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 p -66.83 -27.44 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.21 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 98' ' ' ASN . 2.4 mm-40 -75.74 -24.79 56.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.305 0.574 . . . . 0.0 110.312 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.46 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . . . -103.12 5.35 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.645 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.03 101.76 12.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.109 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -104.37 129.97 24.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -176.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 104' ' ' LYS . 3.4 Cg_exo -81.47 152.73 17.86 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.946 2.431 . . . . 0.0 111.402 173.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -71.49 82.22 1.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.323 2.015 . . . . 0.0 112.432 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -69.9 -36.18 75.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.159 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -136.53 82.04 34.51 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.463 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.401 ' HG2' HD22 ' A' ' 110' ' ' LEU . 72.8 Cg_endo -79.0 -13.81 13.93 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.853 2.369 . . . . 0.0 112.409 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.401 HD22 ' HG2' ' A' ' 109' ' ' PRO . 1.9 mm? -87.46 50.33 1.98 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -78.47 154.5 30.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.241 0.543 . . . . 0.0 111.71 -170.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -122.39 -33.24 3.49 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.03 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -154.29 131.04 10.77 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.61 0.243 . . . . 0.0 110.551 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -126.95 111.2 13.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.993 0.425 . . . . 0.0 110.455 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -104.43 -13.53 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -65.71 -65.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.098 0.475 . . . . 0.0 110.033 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.296 174.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.513 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 49.0 ttm . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.979 0.419 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.513 ' HB ' ' O ' ' A' ' 1' ' ' MET . 14.1 tt 168.51 157.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.778 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 30.8 mp0 -58.12 120.84 46.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.653 0.263 . . . . 0.0 110.614 176.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 6.0 Cg_exo -79.4 -4.58 13.76 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 123.153 2.569 . . . . 0.0 112.052 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -101.65 92.34 4.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.406 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -108.17 127.46 53.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 0.0 110.368 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.9 pt -73.27 167.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.501 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 46' ' ' GLY . 22.0 p -74.09 169.23 17.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.652 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.886 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 57.2 t -51.76 -52.0 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.335 -173.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.11 -28.5 69.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.632 0.253 . . . . 0.0 111.316 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -75.39 -49.92 17.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.765 ' NE1' ' HA ' ' A' ' 9' ' ' VAL . 53.3 p-90 -73.29 -31.8 64.25 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -68.43 -34.94 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.136 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.11 -41.91 93.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.533 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.48 -36.93 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -55.33 -50.35 69.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.944 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 3.0 mm? -58.56 -35.94 73.14 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.759 175.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.6 m -68.85 -49.79 55.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.6 -30.83 64.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -100.31 7.02 44.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -65.32 5.76 0.36 Allowed 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -177.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 3.8 ttmp? -68.54 109.59 4.4 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 117.858 0.299 . . . . 0.0 110.678 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 3.2 Cg_endo -84.63 93.75 0.71 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.957 2.438 . . . . 0.0 112.053 -177.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -124.8 -10.9 7.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.402 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -146.46 132.23 18.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.216 -176.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -40.31 3.69 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.86 -67.54 0.25 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.551 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.7 p -131.64 -52.57 1.0 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 0.0 111.208 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 p -123.91 -78.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 66.98 163.67 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -171.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 72.69 -61.33 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.97 0.508 . . . . 0.0 111.261 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 m -67.75 -3.03 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -170.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -78.11 -20.78 51.51 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 6.9 tp10 -60.78 -60.97 2.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.977 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -53.7 -62.1 1.87 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.102 -174.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.1 m -56.27 -43.38 76.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.593 ' O ' HG12 ' A' ' 41' ' ' VAL . 25.0 tp -64.42 -62.37 1.64 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.668 -175.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.596 ' HA ' HD13 ' A' ' 42' ' ' ILE . 12.9 ptm85 -64.82 -37.8 88.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.26 -37.87 81.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.626 0.25 . . . . 0.0 111.577 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -97.54 -55.46 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 37' ' ' LEU . 7.4 p -87.27 -27.66 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 38' ' ' ARG . 1.3 mp -66.61 -47.43 56.79 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 74.3 Cg_endo -73.49 -15.67 24.67 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 121.534 1.489 . . . . 0.0 113.148 -177.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.802 HG23 ' HG ' ' A' ' 45' ' ' LEU . 14.7 t -107.42 -42.12 4.89 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' ' 44' ' ' THR . 85.1 mt -121.95 -9.68 8.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.402 -175.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.886 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -67.69 -13.87 64.18 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.522 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -98.41 5.78 47.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.82 0.343 . . . . 0.0 110.458 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -110.4 133.18 21.18 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.07 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.23 142.99 86.81 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.822 2.348 . . . . 0.0 112.653 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.34 -27.62 67.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.022 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -79.35 1.16 26.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.51 . . . . 0.0 110.636 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -118.73 7.83 11.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.943 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 58' ' ' ILE . 2.7 tm? -81.5 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.722 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -112.74 149.62 41.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.649 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 99' ' ' PRO . 13.4 Cg_endo -57.53 -34.76 98.55 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.893 2.395 . . . . 0.0 112.447 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.75 70.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.07 -38.51 61.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.846 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 53' ' ' LEU . 60.9 mt -66.19 -36.7 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.077 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.08 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.818 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 60' ' ' ARG . 12.6 ttp180 -62.88 -41.93 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.563 175.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -49.15 -60.93 2.37 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.61 0.569 . . . . 0.0 109.598 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.85 -50.38 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.222 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.77 77.52 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -64.5 -36.12 83.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.201 -174.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -86.92 -20.95 26.62 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.848 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.03 -27.44 68.11 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.149 176.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.06 -31.57 52.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.274 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -79.75 -21.65 44.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.07 56.43 0.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.581 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.1 mt -77.8 130.78 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.613 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 7.3 m -68.29 138.77 91.93 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 172.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.94 -27.87 75.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.774 2.316 . . . . 0.0 111.833 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 p -63.21 -41.76 99.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.982 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.613 ' HG3' ' HB2' ' A' ' 71' ' ' SER . 33.6 mtt180 -66.01 -49.61 67.16 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.49 -44.3 84.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.776 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 80' ' ' VAL . 21.4 ttt180 -61.09 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.682 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -64.0 -45.31 89.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.168 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 74' ' ' ARG . 63.1 mt -60.59 -39.33 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.309 0.576 . . . . 0.0 109.972 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -65.5 -37.5 86.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.934 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 76' ' ' ARG . 96.8 t -73.49 -49.7 34.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.353 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.92 -37.7 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.7 0.286 . . . . 0.0 111.016 -176.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.421 HD23 HG23 ' A' ' 100' ' ' THR . 30.2 tp -68.12 -37.7 81.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -54.07 -48.68 70.38 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.17 -54.58 42.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.471 0.482 . . . . 0.0 110.926 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.21 99.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.373 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.48 -28.69 68.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.525 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.1 m -64.87 -36.81 85.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.593 0.235 . . . . 0.0 110.742 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -68.5 -36.02 78.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -69.11 -40.38 78.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.388 0.613 . . . . 0.0 110.066 173.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 95' ' ' LEU . 13.1 ttt-85 -57.54 -48.65 78.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.832 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.87 -8.79 57.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.332 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -84.12 -9.87 58.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.23 7.36 83.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.882 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.7 pp -95.66 -13.48 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 90' ' ' ARG . 15.7 tp -124.33 145.23 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.962 -177.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.36 -49.33 64.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.279 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.553 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 3.6 pt20 -152.76 -171.01 3.8 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.078 -174.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -100.32 98.84 8.43 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.987 0.422 . . . . 0.0 109.909 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 97' ' ' GLN . 16.7 Cg_exo -67.93 -15.9 44.46 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.975 2.45 . . . . 0.0 111.842 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.421 HG23 HD23 ' A' ' 82' ' ' LEU . 6.4 m -61.92 -47.22 85.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.107 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.36 -20.2 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.83 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.06 -24.36 60.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.388 0.613 . . . . 0.0 109.481 173.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.56 104.41 16.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.006 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 36.7 mtmm -109.46 127.4 27.26 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.353 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 16.8 Cg_exo -67.97 148.05 75.32 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.83 2.354 . . . . 0.0 111.911 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 105' ' ' PRO . 25.4 Cg_exo -63.39 152.17 81.33 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.629 2.219 . . . . 0.0 111.743 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 107' ' ' ARG . 35.6 mmt-85 69.64 17.35 7.86 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.375 178.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -107.99 100.34 35.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.384 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -92.08 -150.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 123.022 2.481 . . . . 0.0 110.862 173.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.3 mt 65.29 31.03 10.9 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.482 0.658 . . . . 0.0 110.773 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -24.62 52.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.204 174.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -94.58 114.05 25.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 168.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -145.29 132.15 20.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.073 0.463 . . . . 0.0 112.07 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -91.66 83.71 5.36 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -122.21 112.15 17.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.097 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -88.67 99.68 12.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.36 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.492 -0.765 . . . . 0.0 109.23 178.502 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.683 ' HG2' ' H ' ' A' ' 2' ' ' ILE . 13.6 ttt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.683 ' H ' ' HG2' ' A' ' 1' ' ' MET . 7.4 pt -76.57 71.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.581 0.705 . . . . 0.0 112.291 -176.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -149.72 87.43 5.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.774 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -97.82 36.5 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.832 3.021 . . . . 0.0 112.741 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -30.71 68.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.588 ' HD3' HD22 ' A' ' 94' ' ' LEU . 5.1 pttp -104.21 33.41 3.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.361 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -74.44 -30.35 25.72 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.2 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -124.74 164.63 19.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.797 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.82 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 94.6 t -68.04 -45.58 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.061 0.458 . . . . 0.0 110.133 175.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HB3' HG23 ' A' ' 42' ' ' ILE . 6.5 pt-20 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.008 -174.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -72.56 -41.64 65.53 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.244 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.727 ' HE3' HD22 ' A' ' 13' ' ' LEU . 66.7 t90 -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.028 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.727 HD22 ' HE3' ' A' ' 12' ' ' TRP . 4.2 mm? -62.35 -30.64 71.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.912 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 25.6 t-20 -61.82 -53.06 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.295 0.569 . . . . 0.0 110.396 176.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -70.17 -29.42 66.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.711 ' HE1' ' HG2' ' A' ' 88' ' ' GLN . 87.0 t90 -57.34 -58.25 9.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.364 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 14' ' ' ASN . 4.6 pp -65.41 -23.3 66.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.685 0.279 . . . . 0.0 111.047 -178.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.1 m -64.19 -46.62 83.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.68 0.276 . . . . 0.0 111.055 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 27.6 t70 -97.05 -41.75 8.21 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -67.94 -30.39 69.69 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.92 -52.3 6.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 2.6 tptm 57.79 93.52 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 124.099 0.874 . . . . 0.0 110.924 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 21.4 Cg_endo -60.74 103.98 0.25 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.118 2.546 . . . . 0.0 113.508 -172.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -142.79 -80.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.758 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 mt -154.17 -4.9 0.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -87.95 -70.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.886 -172.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -119.11 77.38 1.19 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.197 0.522 . . . . 0.0 110.622 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -135.19 12.72 3.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.527 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -113.25 3.96 16.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.192 -174.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.71 83.89 1.87 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.678 0.275 . . . . 0.0 111.339 -175.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -84.5 -19.97 32.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.114 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 p -54.77 -47.71 73.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.126 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -61.44 -41.32 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.097 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.6 mt-10 -62.54 -53.65 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.6 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m -54.8 -61.94 1.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.101 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -60.1 -40.55 83.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.3 tp -68.45 -61.27 1.91 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.671 ' HB2' HD12 ' A' ' 42' ' ' ILE . 5.1 ptp180 -61.86 -36.93 82.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.744 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.07 -44.2 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.682 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -91.51 -43.25 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' LEU . 9.7 p -98.55 -27.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -169.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 38' ' ' ARG . 13.4 mt -65.87 -48.93 60.96 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.697 -0.627 . . . . 0.0 112.624 -175.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 57.8 Cg_endo -71.93 -14.71 29.49 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.585 1.523 . . . . 0.0 112.807 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.6 p -97.74 -64.57 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 111.562 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -115.29 -2.51 12.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.0 -175.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.82 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -70.44 -20.1 76.7 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.557 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -79.39 -7.42 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.285 0.564 . . . . 0.0 110.727 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.0 mt -98.7 133.04 22.84 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.621 ' HG2' ' CB ' ' A' ' 52' ' ' LYS . 10.2 Cg_endo -54.34 144.66 59.84 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.65 2.234 . . . . 0.0 112.114 174.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 9' ' ' VAL . 84.7 mt -56.31 -40.54 74.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.576 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -71.94 -21.46 61.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 111.091 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.621 ' CB ' ' HG2' ' A' ' 49' ' ' PRO . 85.6 tttt -90.71 -17.36 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.239 -178.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.93 128.63 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.432 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 10.3 mt-30 -110.46 149.13 39.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.897 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.83 -23.99 78.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.591 2.194 . . . . 0.0 111.683 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.42 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.566 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 5.3 m-20 -70.64 -38.65 73.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.053 178.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.535 HD12 ' HB2' ' A' ' 99' ' ' PRO . 58.0 mt -67.02 -39.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.326 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -51.12 69.72 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 173.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -54.65 -47.39 73.58 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.822 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 2.5 tm? -58.02 -40.54 81.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.35 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.675 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 16.0 m-30 -65.02 -46.83 79.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.771 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.08 96.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.168 0.509 . . . . 0.0 110.753 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.44 67.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.615 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.675 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 52.1 mtmt -75.99 -45.24 35.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 175.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.97 -33.71 76.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.912 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.87 -32.25 70.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.077 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.4 t -79.57 -14.03 59.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.583 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.49 31.12 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 65' ' ' LYS . 21.4 mt -83.63 134.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.72 0.295 . . . . 0.0 110.755 177.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 15.8 m -62.42 135.89 95.56 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.664 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 51.3 Cg_exo -54.07 -30.79 61.61 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.168 2.579 . . . . 0.0 112.888 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -61.9 -50.2 73.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 0.0 111.106 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -69.64 -28.42 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.258 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.643 HG11 ' HG2' ' A' ' 106' ' ' PRO . 87.4 t -60.7 -38.79 79.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.296 174.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 25.2 mtt180 -71.49 -33.23 69.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -61.22 -47.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.074 0.464 . . . . 0.0 110.203 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.509 ' HA ' HG12 ' A' ' 81' ' ' VAL . 75.4 mt -61.62 -29.25 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.819 176.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 76' ' ' ARG . 10.7 t-80 -64.95 -52.04 58.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.761 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.24 -36.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 78' ' ' ILE . 12.8 p -65.45 -38.13 81.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.523 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -70.95 -41.16 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -58.21 -46.76 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.325 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.9 -18.05 51.59 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.511 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.94 -33.26 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.202 0.525 . . . . 0.0 110.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mtp -84.44 -6.39 59.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.585 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 73.7 m -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.711 ' HG2' ' HE1' ' A' ' 16' ' ' TRP . 26.0 mp0 -62.82 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.621 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -64.05 -36.16 83.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -71.31 -45.32 63.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.305 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 87' ' ' SER . 66.5 mm-40 -59.88 -40.04 87.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.9 m -68.97 -18.49 64.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 23.52 65.26 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.734 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.621 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.4 pp -95.11 -7.46 39.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.138 0.494 . . . . 0.0 110.434 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.518 ' HG ' ' H ' ' A' ' 96' ' ' LEU . 15.2 tp -113.28 -131.87 0.32 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.2 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.518 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 63.5 tp -164.06 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.278 0.561 . . . . 0.0 110.391 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -134.5 -172.29 2.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.896 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.543 ' OD1' ' HG2' ' A' ' 101' ' ' GLU . 19.2 t-20 -112.89 98.15 44.24 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.535 ' HB2' HD12 ' A' ' 58' ' ' ILE . 6.5 Cg_exo -72.25 -13.67 28.3 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.892 -169.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 p -74.99 -32.75 61.75 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.364 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG2' ' OD1' ' A' ' 98' ' ' ASN . 5.7 mm-40 -85.51 -18.49 33.34 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.911 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.0 -12.85 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.49 152.8 21.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.657 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 119.03 69.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.256 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.54 152.61 81.33 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.881 2.387 . . . . 0.0 112.135 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.643 ' HG2' HG11 ' A' ' 75' ' ' VAL . 52.2 Cg_exo -53.73 155.14 14.56 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.942 2.428 . . . . 0.0 112.081 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.01 99.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.471 0.653 . . . . 0.0 111.961 -174.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.56 135.08 2.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 114.856 -1.066 . . . . 0.0 108.547 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.1 139.04 71.69 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.153 2.569 . . . . 0.0 113.248 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -108.98 87.19 2.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -111.57 103.85 12.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.221 0.534 . . . . 0.0 110.422 176.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -148.37 66.07 1.08 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 177.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -68.5 -29.95 68.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.803 -175.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -77.15 104.76 7.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -138.62 -140.76 0.15 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -50.5 -32.72 19.02 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.198 0.523 . . . . 0.0 110.072 172.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.202 -0.904 . . . . 0.0 108.643 169.878 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.681 0.277 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.2 pt -87.55 -16.98 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -100.19 131.93 23.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.896 0.379 . . . . 0.0 111.014 -174.429 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 39.4 Cg_exo -62.14 107.19 0.53 Allowed 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.569 2.179 . . . . 0.0 111.665 175.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p -98.28 -8.79 26.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.317 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -72.72 -10.9 60.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.776 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.23 100.54 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.374 0.607 . . . . 0.0 110.671 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.65 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 4.3 m -113.02 178.33 4.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.361 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.683 ' HB ' ' HA2' ' A' ' 46' ' ' GLY . 47.9 t -56.36 -53.91 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.652 0.263 . . . . 0.0 111.461 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.65 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -67.19 -23.12 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.541 -177.216 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -53.59 49.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -71.5 -36.92 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -67.6 -41.45 84.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 109.982 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.5 -45.35 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.924 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -50.15 -59.65 3.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.186 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -55.77 -41.01 73.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.517 -177.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.7 m -66.67 -46.83 74.4 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -88.12 -39.35 14.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -173.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -77.86 -17.86 56.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.243 0.461 . . . . 0.0 112.243 -173.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.0 -46.7 33.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.5 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.523 ' O ' ' HD2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 56.86 87.33 0.14 Allowed Pre-proline 0 CA--C 1.532 0.252 0 CA-C-O 121.4 0.619 . . . . 0.0 110.153 -177.764 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.99 104.7 0.73 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.591 2.194 . . . . 0.0 113.071 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -168.33 -42.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.168 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -102.25 104.1 14.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.716 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -97.23 112.24 24.13 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.884 0.374 . . . . 0.0 110.711 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -160.46 127.85 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.674 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.7 m -84.92 120.21 26.24 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 m -98.63 10.5 40.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.425 -172.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.0 m-90 60.1 39.5 19.54 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.636 0.731 . . . . 0.0 109.262 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.642 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 1.0 OUTLIER -77.11 109.56 11.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.636 -172.352 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.55 ' O ' HG22 ' A' ' 36' ' ' VAL . 43.3 m -65.34 -34.16 77.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.765 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CD2' HG23 ' A' ' 81' ' ' VAL . 33.3 m-85 -52.4 -38.63 59.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.7 -50.85 55.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.454 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 m -68.26 -52.01 38.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.408 -176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 32' ' ' SER . 34.7 m -67.0 -33.56 64.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' VAL . 21.0 tp -65.14 -62.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -178.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.582 ' HG3' ' N ' ' A' ' 39' ' ' LEU . 8.4 ptp180 -53.86 -45.95 71.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.115 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.582 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 31.7 tp -64.89 -39.3 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.98 -171.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -100.59 -40.77 7.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -171.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 37' ' ' LEU . 2.8 m -90.83 -32.61 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -169.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.57 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 42.0 mt -67.25 -47.99 48.53 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -173.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 42' ' ' ILE . 14.7 Cg_endo -57.07 -42.37 64.62 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.22 1.946 . . . . 0.0 113.931 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 t -105.38 -46.41 4.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' HG ' HD12 ' A' ' 61' ' ' LEU . 1.2 tm? -84.61 -31.27 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.204 0.526 . . . . 0.0 109.905 -174.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.683 ' HA2' ' HB ' ' A' ' 9' ' ' VAL . . . -74.62 14.59 4.24 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.077 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.1 m -108.32 -0.81 20.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.459 . . . . 0.0 110.228 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 69.6 mt -113.15 125.38 29.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.211 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 52.4 Cg_exo -55.78 145.3 72.77 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.005 2.47 . . . . 0.0 112.562 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.14 -29.68 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -85.43 5.78 29.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -131.48 8.91 4.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.463 0.649 . . . . 0.0 109.971 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -82.2 122.44 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.582 -175.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -124.95 161.74 47.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.724 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.42 -29.39 58.65 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.94 2.427 . . . . 0.0 113.002 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.71 80.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 60' ' ' ARG . 21.3 m-20 -69.64 -36.48 76.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.46 -34.69 63.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.3 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.447 HE21 ' HB3' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -60.39 -41.32 93.57 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.371 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 18.7 ttt85 -59.93 -39.79 86.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.79 177.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD11 HG12 ' A' ' 41' ' ' VAL . 3.2 tt -53.93 -60.53 3.21 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 175.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.486 ' OH ' ' HA ' ' A' ' 79' ' ' HIS . 23.5 m-85 -61.9 -44.44 96.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.333 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 t -63.67 -39.69 94.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -177.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 57.4 mmtt -88.7 -25.43 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.05 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.03 -18.23 63.11 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -89.76 -7.05 55.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.171 0.51 . . . . 0.0 110.461 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.18 62.67 0.7 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.774 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 65' ' ' LYS . 57.6 mt -99.35 139.33 35.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.02 0.438 . . . . 0.0 111.369 176.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.4 m -74.51 156.97 86.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.923 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.04 -46.01 36.48 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.598 2.199 . . . . 0.0 112.033 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.436 ' HA ' ' HB3' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -68.36 -28.82 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.463 179.345 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.574 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.4 mmt85 -65.29 -50.9 63.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.49 -40.85 85.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 109.952 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HB3' ' HA ' ' A' ' 73' ' ' THR . 44.0 ttt180 -56.19 -48.49 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.217 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.58 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 74' ' ' ARG . 61.7 mt -63.8 -35.43 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.029 176.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.486 ' HA ' ' OH ' ' A' ' 62' ' ' TYR . 43.2 t-80 -64.2 -38.33 90.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.093 177.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 76' ' ' ARG . 93.6 t -71.96 -50.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.385 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 78' ' ' ILE . 11.0 p -62.73 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.184 -177.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.4 tp -68.51 -42.19 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.371 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -59.93 -38.01 81.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.542 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -70.1 -55.98 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.547 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.32 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.936 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.0 ttm -68.74 -27.97 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.352 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.3 p -69.32 -27.25 65.21 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.786 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.29 -30.98 72.01 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-O 120.87 0.367 . . . . 0.0 110.202 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -67.38 -37.99 84.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 110.033 176.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 95' ' ' LEU . 69.9 ttt180 -66.85 -45.64 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.14 -29.36 70.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.784 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -68.59 -25.7 65.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.93 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.62 -0.65 55.49 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.909 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.707 HD11 ' HB1' ' A' ' 89' ' ' ALA . 4.1 pp -87.77 -11.66 47.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.365 0.602 . . . . 0.0 109.789 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 39.4 tp -136.53 132.78 35.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.81 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.4 pt? -99.46 -18.35 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.904 0.383 . . . . 0.0 111.477 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -116.79 160.44 20.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -120.35 94.84 48.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.95 -9.82 11.76 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.531 2.154 . . . . 0.0 112.635 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 m -70.64 -27.75 64.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.692 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.57 -26.84 60.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.72 2.93 43.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.792 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.48 107.65 18.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.655 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -96.49 144.82 28.5 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.159 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.496 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 52.3 Cg_exo -52.52 -46.07 35.73 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.134 2.556 . . . . 0.0 114.138 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 105' ' ' PRO . 15.0 Cg_endo -58.82 121.37 9.85 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 121.777 1.651 . . . . 0.0 112.05 174.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -78.82 93.16 4.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 110.627 -176.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -163.08 96.26 1.09 Allowed Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.208 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -87.12 -174.96 1.45 Allowed 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.744 2.296 . . . . 0.0 112.244 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.25 71.88 10.8 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -65.52 132.36 48.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.88 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -149.26 113.18 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.072 -177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -76.41 87.81 3.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.658 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 50.55 88.0 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.177 -174.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -74.19 132.31 42.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.793 -177.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 75.79 145.78 0.09 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.155 0.909 . . . . 0.0 112.192 177.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 . . . . . 0 C--O 1.244 0.772 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.644 174.517 . . . . . . . . 0 0 . 1 stop_ save_